data_1cfg_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 1cfg _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.363 0 CA-C-O 126.268 2.937 . . . . 0.0 115.656 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 4 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.272 2.26 0 N-CA-C 118.691 2.848 . . . . 0.0 118.691 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.163 0 CA-C-O 125.313 2.482 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.192 0 CA-C-O 125.317 2.484 . . . . 0.0 116.098 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.288 0 CA-C-O 125.73 2.681 . . . . 0.0 116.343 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 4 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.217 0 CA-C-O 125.833 2.73 . . . . 0.0 116.091 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.59 2.51 0 CA-C-O 125.1 2.381 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.584 2.279 0 CA-C-O 125.579 2.609 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 4 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.265 0 CA-C-O 125.576 2.608 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.338 0 CA-C-O 126.345 2.974 . . . . 0.0 116.606 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm . . . . . 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.17 0 CA-C-O 124.765 2.221 . . . . 0.0 115.988 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 4 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.234 0 CA-C-O 125.313 2.483 . . . . 0.0 116.27 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.152 0 CA-C-O 125.811 2.72 . . . . 0.0 116.402 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.588 2.436 0 CA-C-O 126.537 3.065 . . . . 0.0 115.799 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.585 2.289 0 CA-C-O 125.623 2.63 . . . . 0.0 115.977 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.24 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.385 0 CA-C-O 126.152 2.882 . . . . 0.0 117.095 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 4 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.582 2.204 0 CA-C-O 125.396 2.522 . . . . 0.0 116.518 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 4 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.244 0 CA-C-O 125.524 2.583 . . . . 0.0 116.521 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 4 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.582 2.2 0 CA-C-O 125.296 2.474 . . . . 0.0 116.582 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 4 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.597 2.77 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.262 2.7 mtp180 -68.44 3.82 1.61 Allowed 'General case' 0 CA--C 1.626 3.875 1 C-N-CA 135.271 5.428 . . . . 0.0 118.032 -158.732 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -104.24 62.89 0.74 Allowed 'General case' 0 CA--C 1.602 2.956 1 C-N-CA 136.392 5.877 . . . . 0.0 113.917 -163.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -141.42 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.872 1 C-N-CA 136.447 5.899 . . . . 0.0 107.53 164.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.29 10.5 mmt85 -61.75 -71.64 0.14 Allowed 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 135.85 5.66 . . . . 0.0 109.761 159.278 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.413 1.3 pt -118.24 124.3 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.974 1 C-N-CA 135.638 5.575 . . . . 0.0 106.499 -164.964 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -123.51 57.12 11.1 Favored Pre-proline 0 CA--C 1.586 2.363 1 C-N-CA 139.426 7.09 . . . . 0.0 115.656 -176.995 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -36.25 64.9 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -6.04 6.95 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.882 5.673 . . . . 0.0 117.117 -160.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 25.7 t -116.23 -70.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.79 1 C-N-CA 135.662 5.585 . . . . 0.0 102.945 -165.437 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.586 1 C-N-CA 136.344 5.858 . . . . 0.0 109.92 -158.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 CA--C 1.599 2.85 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.306 0.5 OUTLIER -85.77 153.76 22.07 Favored 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 136.11 5.764 . . . . 0.0 108.719 156.775 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -103.2 92.78 4.67 Favored 'General case' 0 CA--C 1.608 3.177 1 C-N-CA 134.51 5.124 . . . . 0.0 114.871 -170.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -170.42 0.07 Allowed 'General case' 0 CA--C 1.598 2.792 1 C-N-CA 135.882 5.673 . . . . 0.0 107.746 166.624 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.301 8.9 tpt180 -53.81 -31.95 50.97 Favored 'General case' 0 CA--C 1.599 2.83 1 C-N-CA 135.438 5.495 . . . . 0.0 110.113 -159.97 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 10.5 pt -135.95 123.54 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.844 1 C-N-CA 136.868 6.067 . . . . 0.0 106.856 -177.598 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -126.04 71.07 68.8 Favored Pre-proline 0 C--O 1.272 2.26 1 C-N-CA 135.351 5.46 . . . . 0.0 118.691 175.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -29.05 61.14 Favored 'General case' 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.41 33.6 0.04 OUTLIER 'General case' 0 CA--C 1.597 2.771 1 C-N-CA 135.129 5.372 . . . . 0.0 116.964 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.267 23.3 t -113.63 -70.91 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 136.05 5.74 . . . . 0.0 102.921 166.795 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.911 5.684 . . . . 0.0 110.232 -164.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 CA--C 1.6 2.869 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -87.01 143.34 27.37 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 136.408 5.883 . . . . 0.0 108.501 156.934 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.52 72.62 4.38 Favored 'General case' 0 CA--C 1.601 2.918 1 C-N-CA 135.752 5.621 . . . . 0.0 113.663 -172.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -157.75 0.01 OUTLIER 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 135.921 5.688 . . . . 0.0 107.7 -164.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 2.1 ttp180 -58.96 -29.95 67.55 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.779 5.632 . . . . 0.0 109.7 158.088 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.405 7.3 pt -134.19 115.32 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.867 1 C-N-CA 135.579 5.552 . . . . 0.0 106.606 -175.432 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -117.97 63.58 4.67 Favored Pre-proline 0 CA--C 1.581 2.163 1 C-N-CA 138.004 6.521 . . . . 0.0 116.039 -178.907 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' O ' ' OXT' ' A' ' 22' ' ' LEU . 3.9 mtp -74.52 -55.69 5.66 Favored 'General case' 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.95 -8.88 57.03 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.287 5.835 . . . . 0.0 117.131 -161.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 17.5 t -126.77 -60.86 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.819 1 C-N-CA 135.747 5.619 . . . . 0.0 102.781 -164.354 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' OXT' ' O ' ' A' ' 19' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 135.683 5.593 . . . . 0.0 110.186 -171.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -87.97 155.21 19.95 Favored 'General case' 0 CA--C 1.603 2.99 1 C-N-CA 136.54 5.936 . . . . 0.0 108.224 152.946 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.99 77.92 2.05 Favored 'General case' 0 CA--C 1.607 3.171 1 C-N-CA 134.293 5.037 . . . . 0.0 114.318 -173.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.17 -163.49 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.922 1 C-N-CA 136.589 5.956 . . . . 0.0 107.392 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 0.2 OUTLIER -54.06 -43.9 70.63 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.255 5.422 . . . . 0.0 109.65 -165.811 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.413 13.1 pt -141.93 123.91 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.882 1 C-N-CA 136.435 5.894 . . . . 0.0 106.44 -172.212 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -129.97 66.19 77.06 Favored Pre-proline 0 CA--C 1.582 2.192 1 C-N-CA 136.892 6.077 . . . . 0.0 116.098 -173.294 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm -74.83 -42.19 58.47 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -12.91 62.09 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.734 5.613 . . . . 0.0 117.167 -158.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.265 76.9 t -101.88 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.34 5.456 . . . . 0.0 103.008 -159.6 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.489 1.496 1 C-N-CA 135.918 5.687 . . . . 0.0 110.444 -160.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER -82.51 142.84 31.53 Favored 'General case' 0 C--O 1.281 2.762 1 C-N-CA 135.9 5.68 . . . . 0.0 109.01 -154.724 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -112.27 99.41 8.01 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 135.954 5.702 . . . . 0.0 113.953 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.03 -173.31 0.18 Allowed 'General case' 0 CA--C 1.597 2.751 1 C-N-CA 136.654 5.981 . . . . 0.0 107.79 158.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.289 0.0 OUTLIER -54.97 -42.39 72.33 Favored 'General case' 0 CA--C 1.601 2.904 1 C-N-CA 135.93 5.692 . . . . 0.0 109.504 157.963 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.386 2.6 pt -134.58 108.24 10.26 Favored 'Isoleucine or valine' 0 C--O 1.284 2.893 1 C-N-CA 138.456 6.703 . . . . 0.0 106.172 -173.71 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 63.34 0.09 OUTLIER Pre-proline 0 CA--C 1.584 2.288 1 C-N-CA 135.741 5.616 . . . . 0.0 116.343 -177.455 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 4 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -36.2 64.06 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.99 25.94 0.08 Allowed 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.555 5.542 . . . . 0.0 117.342 -163.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.269 57.5 t -63.66 -35.32 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.841 1 C-N-CA 135.782 5.633 . . . . 0.0 103.057 166.781 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.491 1.604 1 C-N-CA 135.461 5.504 . . . . 0.0 110.02 163.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.285 2.967 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -85.19 101.32 12.39 Favored 'General case' 0 C--O 1.294 3.417 1 C-N-CA 135.373 5.469 . . . . 0.0 109.184 158.348 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -87.59 90.16 8.27 Favored 'General case' 0 CA--C 1.601 2.905 1 C-N-CA 135.713 5.605 . . . . 0.0 113.522 -165.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -146.19 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.281 5.832 . . . . 0.0 108.226 -169.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 2.5 ttm-85 -56.13 -53.99 50.46 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 135.534 5.534 . . . . 0.0 110.189 165.253 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.396 8.8 pt -160.82 119.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.87 1 C-N-CA 136.7 6.0 . . . . 0.0 106.587 -158.013 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -115.88 60.68 1.79 Allowed Pre-proline 0 CA--C 1.583 2.217 1 C-N-CA 137.392 6.277 . . . . 0.0 116.091 -172.727 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -44.35 48.0 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -57.38 -14.58 4.89 Favored 'General case' 0 CA--C 1.598 2.802 1 C-N-CA 136.089 5.756 . . . . 0.0 117.39 -157.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 97.6 t -57.83 -51.35 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.812 1 C-N-CA 135.275 5.43 . . . . 0.0 102.76 -166.969 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.489 1.519 1 C-N-CA 135.77 5.628 . . . . 0.0 110.124 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.289 3.139 0 CA-C-O 116.699 -1.62 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.3 3.19 2.37 Favored 'General case' 0 CA--C 1.626 3.892 1 C-N-CA 134.983 5.313 . . . . 0.0 118.211 -158.918 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -104.07 53.73 0.74 Allowed 'General case' 0 CA--C 1.618 3.571 1 C-N-CA 134.99 5.316 . . . . 0.0 113.884 -165.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -48.53 -168.97 0.0 OUTLIER 'General case' 0 CA--C 1.607 3.143 1 C-N-CA 136.726 6.01 . . . . 0.0 107.016 156.806 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 1.4 ttp180 -50.94 -50.74 57.2 Favored 'General case' 0 C--O 1.296 3.548 1 C-N-CA 135.131 5.372 . . . . 0.0 110.955 -155.454 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.378 7.7 pt -166.19 118.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.282 2.776 1 C-N-CA 134.908 5.283 . . . . 0.0 107.401 -177.558 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -133.46 74.38 71.52 Favored Pre-proline 0 CA--C 1.59 2.51 1 C-N-CA 135.315 5.446 . . . . 0.0 115.571 171.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -51.97 13.72 Favored 'General case' 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -16.51 14.57 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.597 5.559 . . . . 0.0 117.337 -159.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.266 69.7 t -87.05 82.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.559 5.544 . . . . 0.0 102.76 -177.208 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.554 1 C-N-CA 135.646 5.578 . . . . 0.0 110.118 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.321 0.0 OUTLIER -86.85 113.75 22.92 Favored 'General case' 0 CA--C 1.604 3.044 1 C-N-CA 135.706 5.602 . . . . 0.0 108.76 -162.346 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -108.19 99.74 9.13 Favored 'General case' 0 CA--C 1.602 2.958 1 C-N-CA 135.157 5.383 . . . . 0.0 114.82 159.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.68 -173.34 0.0 OUTLIER 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 136.358 5.863 . . . . 0.0 107.896 158.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER -54.98 -46.97 75.15 Favored 'General case' 0 CA--C 1.6 2.87 1 C-N-CA 136.402 5.881 . . . . 0.0 109.669 158.347 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.388 3.2 pt -133.7 106.85 9.64 Favored 'Isoleucine or valine' 0 C--O 1.285 2.945 1 C-N-CA 137.552 6.341 . . . . 0.0 106.549 -166.063 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.46 64.07 0.07 OUTLIER Pre-proline 0 CA--C 1.584 2.279 1 C-N-CA 135.879 5.671 . . . . 0.0 116.591 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -34.91 64.19 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.78 24.42 0.12 Allowed 'General case' 0 CA--C 1.598 2.817 1 C-N-CA 135.77 5.628 . . . . 0.0 116.77 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 95.0 t -61.33 89.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.598 2.807 1 C-N-CA 135.659 5.584 . . . . 0.0 102.841 -166.129 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.549 1 C-N-CA 135.969 5.708 . . . . 0.0 110.146 -168.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 CA--C 1.6 2.87 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.296 18.4 mmt85 -86.63 154.49 20.98 Favored 'General case' 0 C--O 1.285 2.938 1 C-N-CA 136.165 5.786 . . . . 0.0 108.327 157.393 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.23 102.28 10.97 Favored 'General case' 0 CA--C 1.601 2.923 1 C-N-CA 135.493 5.517 . . . . 0.0 113.79 171.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -145.61 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.882 1 C-N-CA 136.209 5.804 . . . . 0.0 107.451 158.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 7.5 tpt85 -67.46 -60.6 2.44 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.796 5.639 . . . . 0.0 110.014 164.634 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 4.0 pt -137.09 109.82 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 137.0 6.12 . . . . 0.0 106.713 -162.96 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -104.79 59.79 0.11 Allowed Pre-proline 0 CA--C 1.584 2.265 1 C-N-CA 137.157 6.183 . . . . 0.0 116.039 -177.319 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -43.29 58.54 Favored 'General case' 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -59.19 -15.3 14.14 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.336 5.454 . . . . 0.0 117.065 -168.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 75.5 t -138.49 88.85 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.775 1 C-N-CA 135.513 5.525 . . . . 0.0 102.818 -163.84 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.535 1 C-N-CA 135.671 5.588 . . . . 0.0 110.098 -168.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.599 2.862 0 CA-C-O 118.757 -0.64 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 4.7 mmm180 -86.04 159.27 19.63 Favored 'General case' 0 CA--C 1.6 2.879 1 C-N-CA 136.292 5.837 . . . . 0.0 108.669 156.869 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -108.83 97.15 6.83 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 135.59 5.556 . . . . 0.0 113.862 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -149.06 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 136.502 5.921 . . . . 0.0 107.066 158.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -53.9 -74.69 0.04 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.071 5.348 . . . . 0.0 109.446 167.764 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.41 1.2 pt -128.71 124.12 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.901 1 C-N-CA 135.287 5.435 . . . . 0.0 106.721 -167.702 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.57 54.8 3.84 Favored Pre-proline 0 CA--C 1.586 2.338 1 C-N-CA 138.269 6.628 . . . . 0.0 116.606 -171.321 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -74.04 -22.07 59.7 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -76.95 21.25 0.22 Allowed 'General case' 0 CA--C 1.597 2.763 1 C-N-CA 135.553 5.541 . . . . 0.0 116.906 170.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 71.5 t -128.79 114.42 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.805 1 C-N-CA 135.876 5.671 . . . . 0.0 102.875 179.379 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.489 1.522 1 C-N-CA 135.542 5.537 . . . . 0.0 110.127 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.601 2.906 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.297 3.1 mmm-85 -85.48 152.88 22.86 Favored 'General case' 0 CA--C 1.599 2.859 1 C-N-CA 136.35 5.86 . . . . 0.0 108.939 156.69 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -96.13 86.68 4.33 Favored 'General case' 0 CA--C 1.607 3.138 1 C-N-CA 134.679 5.192 . . . . 0.0 114.712 -172.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -138.94 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 137.07 6.148 . . . . 0.0 107.605 -179.047 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -74.02 -54.36 8.04 Favored 'General case' 0 C--O 1.285 2.927 1 C-N-CA 135.859 5.664 . . . . 0.0 110.648 166.336 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.416 7.8 pt -125.13 122.16 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 1 C-N-CA 135.392 5.477 . . . . 0.0 106.868 -170.675 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -130.15 70.01 82.06 Favored Pre-proline 0 CA--C 1.581 2.17 1 C-N-CA 137.944 6.498 . . . . 0.0 115.988 177.522 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 4 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -43.75 53.15 Favored 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -76.64 -85.21 0.06 Allowed 'General case' 0 CA--C 1.606 3.115 1 C-N-CA 134.83 5.252 . . . . 0.0 115.96 -159.825 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' N ' ' CG ' ' A' ' 20' ' ' GLU 0.275 4.4 t -132.75 -80.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.772 1 C-N-CA 136.162 5.785 . . . . 0.0 102.899 -166.335 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 1 C-N-CA 135.552 5.541 . . . . 0.0 110.139 -170.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.6 2.886 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -85.84 99.32 11.3 Favored 'General case' 0 C--O 1.3 3.735 1 C-N-CA 135.766 5.626 . . . . 0.0 109.311 -159.62 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -103.25 46.34 0.92 Allowed 'General case' 0 CA--C 1.611 3.307 1 C-N-CA 134.882 5.273 . . . . 0.0 113.892 -174.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.251 0.0 OUTLIER -50.56 -153.61 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.013 1 C-N-CA 136.786 6.034 . . . . 0.0 107.227 169.056 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -67.08 -25.52 66.27 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 135.842 5.657 . . . . 0.0 110.752 -164.387 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.407 7.5 pt -135.06 123.02 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 135.393 5.477 . . . . 0.0 106.868 175.932 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.24 62.6 30.52 Favored Pre-proline 0 CA--C 1.583 2.234 1 C-N-CA 138.373 6.669 . . . . 0.0 116.27 -175.706 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm -70.99 -38.57 72.7 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.62 26.08 0.32 Allowed 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.411 5.484 . . . . 0.0 116.574 -160.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 23.5 t -68.44 -47.94 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.799 1 C-N-CA 135.583 5.553 . . . . 0.0 102.902 175.075 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.557 1 C-N-CA 135.96 5.704 . . . . 0.0 110.214 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.285 2.963 0 CA-C-O 116.859 -1.543 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -84.73 92.28 8.17 Favored 'General case' 0 C--O 1.291 3.249 1 C-N-CA 135.566 5.546 . . . . 0.0 109.176 -177.699 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -88.15 19.98 3.43 Favored 'General case' 0 CA--C 1.601 2.937 1 C-N-CA 136.532 5.933 . . . . 0.0 116.151 -156.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -179.61 0.01 OUTLIER 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 135.272 5.429 . . . . 0.0 107.422 167.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.309 0.0 OUTLIER -56.13 -24.2 39.32 Favored 'General case' 0 C--O 1.287 3.04 1 C-N-CA 134.963 5.305 . . . . 0.0 110.418 -167.975 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.409 9.5 pt -151.98 119.14 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.601 2.912 1 C-N-CA 136.107 5.763 . . . . 0.0 106.198 -168.937 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.0 61.51 7.55 Favored Pre-proline 0 CA--C 1.581 2.152 1 C-N-CA 136.983 6.113 . . . . 0.0 116.402 -170.954 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.79 62.86 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -68.96 24.8 0.03 OUTLIER 'General case' 0 CA--C 1.598 2.81 1 C-N-CA 135.656 5.582 . . . . 0.0 117.176 -167.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 39.6 t -64.06 -71.14 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.781 1 C-N-CA 136.233 5.813 . . . . 0.0 102.834 158.673 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.489 1.476 1 C-N-CA 135.87 5.668 . . . . 0.0 109.894 -158.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.599 2.838 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.413 0.7 OUTLIER -86.4 52.67 2.56 Favored 'General case' 0 CA--C 1.618 3.569 1 C-N-CA 134.699 5.2 . . . . 0.0 112.494 -159.152 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -117.34 49.8 1.17 Allowed 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.156 5.382 . . . . 0.0 114.138 -160.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -165.46 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.784 1 C-N-CA 135.651 5.58 . . . . 0.0 107.615 -178.287 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -60.55 -24.85 65.73 Favored 'General case' 0 C--O 1.286 3.006 1 C-N-CA 134.23 5.012 . . . . 0.0 109.763 161.565 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.392 1.2 pt -146.51 125.68 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.92 1 C-N-CA 135.262 5.425 . . . . 0.0 106.724 -172.949 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.16 55.59 9.91 Favored Pre-proline 0 CA--C 1.588 2.436 1 C-N-CA 138.62 6.768 . . . . 0.0 115.799 -171.555 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -36.31 61.65 Favored 'General case' 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.48 4.09 0.01 OUTLIER 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.797 5.639 . . . . 0.0 116.9 -157.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 58.9 t -99.96 104.52 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.783 1 C-N-CA 135.129 5.372 . . . . 0.0 102.819 160.677 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.493 1 C-N-CA 136.018 5.727 . . . . 0.0 110.167 174.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.794 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -85.92 108.58 18.24 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.028 5.331 . . . . 0.0 108.944 -161.015 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.57 96.98 6.63 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 136.208 5.803 . . . . 0.0 113.318 159.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -172.52 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 1 C-N-CA 134.979 5.312 . . . . 0.0 107.295 169.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.328 0.0 OUTLIER -52.79 -31.5 38.86 Favored 'General case' 0 CA--C 1.601 2.913 1 C-N-CA 134.113 4.965 . . . . 0.0 109.49 -159.934 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.384 13.1 pt -164.88 116.27 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.6 2.88 1 C-N-CA 136.482 5.913 . . . . 0.0 106.524 -166.93 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 61.42 0.4 Allowed Pre-proline 0 CA--C 1.585 2.289 1 C-N-CA 137.557 6.343 . . . . 0.0 115.977 -175.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -38.31 78.51 Favored 'General case' 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -79.78 19.51 0.67 Allowed 'General case' 0 CA--C 1.597 2.768 1 C-N-CA 135.398 5.479 . . . . 0.0 116.917 -174.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 22.3 t -58.34 -30.91 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.816 1 C-N-CA 135.512 5.525 . . . . 0.0 102.93 -174.01 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 1 C-N-CA 135.992 5.717 . . . . 0.0 110.068 159.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 CA--C 1.598 2.797 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.4 16.1 mtt180 -58.27 -90.32 0.0 OUTLIER 'General case' 0 CA--C 1.627 3.928 1 C-N-CA 134.734 5.214 . . . . 0.0 107.775 161.134 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -81.88 88.12 6.36 Favored 'General case' 0 CA--C 1.596 2.728 1 C-N-CA 136.887 6.075 . . . . 0.0 112.187 170.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.36 -134.92 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.01 1 C-N-CA 137.257 6.223 . . . . 0.0 107.506 178.307 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -69.45 -41.13 76.67 Favored 'General case' 0 C--O 1.285 2.933 1 C-N-CA 135.609 5.563 . . . . 0.0 110.466 159.475 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' C ' ' ND1' ' A' ' 7' ' ' HIS 0.409 13.8 pt -143.96 123.77 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.884 1 C-N-CA 135.277 5.431 . . . . 0.0 107.484 -159.104 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.85 68.91 55.73 Favored Pre-proline 0 C--O 1.272 2.24 1 C-N-CA 137.285 6.234 . . . . 0.0 117.895 177.497 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -43.76 55.2 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.84 -18.32 12.55 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 135.651 5.58 . . . . 0.0 116.993 -162.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 90.1 t -104.01 83.89 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.74 1 C-N-CA 135.422 5.489 . . . . 0.0 102.813 -166.925 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.504 1 C-N-CA 135.751 5.62 . . . . 0.0 110.145 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.814 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -84.33 107.73 16.77 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 135.147 5.379 . . . . 0.0 109.256 -163.253 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -111.05 28.89 8.29 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 135.528 5.531 . . . . 0.0 115.93 171.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -162.48 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.921 1 C-N-CA 135.73 5.612 . . . . 0.0 107.867 164.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 2.4 tpt180 -55.97 -33.81 65.14 Favored 'General case' 0 CA--C 1.598 2.82 1 C-N-CA 136.191 5.797 . . . . 0.0 109.745 -159.368 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.402 1.2 pt -134.38 124.97 46.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.889 1 C-N-CA 135.184 5.394 . . . . 0.0 106.81 -177.661 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 56.64 4.13 Favored Pre-proline 0 CA--C 1.587 2.385 1 C-N-CA 137.995 6.518 . . . . 0.0 117.095 -173.008 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 4 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -21.64 59.84 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -77.29 25.11 0.17 Allowed 'General case' 0 CA--C 1.597 2.764 1 C-N-CA 135.438 5.495 . . . . 0.0 117.053 165.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 11.4 t -136.21 99.22 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.941 5.696 . . . . 0.0 102.795 178.063 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.49 1.532 1 C-N-CA 135.558 5.543 . . . . 0.0 110.192 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.596 2.742 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER -82.74 141.0 32.73 Favored 'General case' 0 CA--C 1.599 2.835 1 C-N-CA 136.405 5.882 . . . . 0.0 108.442 156.683 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.9 m-85 -108.74 90.79 3.4 Favored 'General case' 0 CA--C 1.595 2.703 1 C-N-CA 136.511 5.924 . . . . 0.0 114.28 -149.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -65.82 176.97 1.4 Allowed 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.067 5.347 . . . . 0.0 107.391 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 0.2 OUTLIER -53.06 -24.57 10.2 Favored 'General case' 0 C--O 1.286 3.012 1 C-N-CA 135.039 5.336 . . . . 0.0 110.411 -177.118 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.386 3.4 pt -155.88 108.44 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.886 1 C-N-CA 135.621 5.568 . . . . 0.0 106.427 -167.737 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.17 65.76 0.42 Allowed Pre-proline 0 CA--C 1.582 2.204 1 C-N-CA 135.611 5.565 . . . . 0.0 116.518 178.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 4 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.53 64.68 Favored 'General case' 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -54.86 -2.39 0.03 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.67 5.588 . . . . 0.0 116.8 -165.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 91.9 t -107.97 117.77 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 1 C-N-CA 135.513 5.525 . . . . 0.0 102.912 164.334 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.531 1 C-N-CA 135.648 5.579 . . . . 0.0 110.158 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.599 2.839 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.338 0.0 OUTLIER -89.75 100.48 13.28 Favored 'General case' 0 CA--C 1.609 3.244 1 C-N-CA 135.494 5.517 . . . . 0.0 109.426 -158.914 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 1.5 m-85 -114.97 99.96 7.85 Favored 'General case' 0 CA--C 1.602 2.961 1 C-N-CA 136.165 5.786 . . . . 0.0 113.339 163.03 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -152.36 0.01 OUTLIER 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.728 5.211 . . . . 0.0 107.21 171.776 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.3 7.7 tpt180 -58.51 -45.24 89.21 Favored 'General case' 0 CA--C 1.598 2.794 1 C-N-CA 135.029 5.332 . . . . 0.0 109.72 165.83 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.38 3.1 pt -135.65 108.05 8.22 Favored 'Isoleucine or valine' 0 C--O 1.285 2.944 1 C-N-CA 136.862 6.065 . . . . 0.0 106.834 -159.937 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.7 65.38 0.12 Allowed Pre-proline 0 CA--C 1.583 2.244 1 C-N-CA 135.933 5.693 . . . . 0.0 116.521 178.727 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 4 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -59.38 2.75 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.47 -10.17 4.62 Favored 'General case' 0 CA--C 1.598 2.793 1 C-N-CA 135.462 5.505 . . . . 0.0 117.268 -159.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 61.9 t -139.97 96.45 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.789 1 C-N-CA 135.557 5.543 . . . . 0.0 102.828 -170.044 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 136.037 5.735 . . . . 0.0 110.127 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.281 2.75 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 6.1 mmt-85 -87.97 143.96 26.81 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 136.047 5.739 . . . . 0.0 108.226 155.741 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -97.05 93.54 6.64 Favored 'General case' 0 CA--C 1.601 2.919 1 C-N-CA 136.057 5.743 . . . . 0.0 113.793 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -173.07 0.25 Allowed 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 135.906 5.683 . . . . 0.0 107.767 172.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -53.61 -24.76 14.93 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.325 5.45 . . . . 0.0 109.961 -173.293 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.387 2.8 pt -139.25 106.82 2.97 Favored 'Isoleucine or valine' 0 C--O 1.285 2.932 1 C-N-CA 135.696 5.598 . . . . 0.0 106.705 177.694 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 64.93 0.06 OUTLIER Pre-proline 0 CA--C 1.582 2.2 1 C-N-CA 135.996 5.718 . . . . 0.0 116.582 177.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 4 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -55.76 5.67 Favored 'General case' 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.67 -10.39 58.08 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 135.732 5.613 . . . . 0.0 117.154 -158.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 88.4 t -113.12 109.42 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 135.407 5.483 . . . . 0.0 102.831 -159.75 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.672 5.589 . . . . 0.0 110.313 169.407 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.363 0 CA-C-O 126.268 2.937 . . . . 0.0 115.656 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 4 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.272 2.26 0 N-CA-C 118.691 2.848 . . . . 0.0 118.691 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.163 0 CA-C-O 125.313 2.482 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' CA ' ' HB2' ' A' ' 19' ' ' MET 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HB2' ' CA ' ' A' ' 16' ' ' ALA . 3.9 mtp . . . . . 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.192 0 CA-C-O 125.317 2.484 . . . . 0.0 116.098 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.762 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.288 0 CA-C-O 125.73 2.681 . . . . 0.0 116.343 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' A' ' 11' ' ' TRP 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.217 0 CA-C-O 125.833 2.73 . . . . 0.0 116.091 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.764 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.59 2.51 0 CA-C-O 125.1 2.381 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.584 2.279 0 CA-C-O 125.579 2.609 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 11' ' ' TRP 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.265 0 CA-C-O 125.576 2.608 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 13' ' ' HIS 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.429 ' N ' HG12 ' A' ' 12' ' ' VAL . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.338 0 CA-C-O 126.345 2.974 . . . . 0.0 116.606 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.451 ' N ' HG12 ' A' ' 12' ' ' VAL . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm . . . . . 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.17 0 CA-C-O 124.765 2.221 . . . . 0.0 115.988 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.234 0 CA-C-O 125.313 2.483 . . . . 0.0 116.27 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 13' ' ' HIS 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.424 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.152 0 CA-C-O 125.811 2.72 . . . . 0.0 116.402 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.588 2.436 0 CA-C-O 126.537 3.065 . . . . 0.0 115.799 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.585 2.289 0 CA-C-O 125.623 2.63 . . . . 0.0 115.977 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 5 4 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' N ' HG12 ' A' ' 12' ' ' VAL . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.24 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.768 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.385 0 CA-C-O 126.152 2.882 . . . . 0.0 117.095 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 4 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 13' ' ' HIS 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.402 ' N ' HG12 ' A' ' 12' ' ' VAL . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.582 2.204 0 CA-C-O 125.396 2.522 . . . . 0.0 116.518 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 5 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.535 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 13' ' ' HIS 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' N ' HG12 ' A' ' 12' ' ' VAL . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.244 0 CA-C-O 125.524 2.583 . . . . 0.0 116.521 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 5 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 5 4 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.582 2.2 0 CA-C-O 125.296 2.474 . . . . 0.0 116.582 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 5 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.597 2.77 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.262 2.7 mtp180 -68.44 3.82 1.61 Allowed 'General case' 0 CA--C 1.626 3.875 1 C-N-CA 135.271 5.428 . . . . 0.0 118.032 -158.732 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -104.24 62.89 0.74 Allowed 'General case' 0 CA--C 1.602 2.956 1 C-N-CA 136.392 5.877 . . . . 0.0 113.917 -163.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.14 -141.42 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.872 1 C-N-CA 136.447 5.899 . . . . 0.0 107.53 164.609 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.29 10.5 mmt85 -61.75 -71.64 0.14 Allowed 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 135.85 5.66 . . . . 0.0 109.761 159.278 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.635 HD12 ' HG3' ' A' ' 8' ' ' PRO 0.413 1.3 pt -118.24 124.3 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.974 1 C-N-CA 135.638 5.575 . . . . 0.0 106.499 -164.964 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -123.51 57.12 11.1 Favored Pre-proline 0 CA--C 1.586 2.363 1 C-N-CA 139.426 7.09 . . . . 0.0 115.656 -176.995 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.635 ' HG3' HD12 ' A' ' 6' ' ' ILE 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -36.25 64.9 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -6.04 6.95 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.882 5.673 . . . . 0.0 117.117 -160.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG12 ' OXT' ' A' ' 22' ' ' LEU 0.273 25.7 t -116.23 -70.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.79 1 C-N-CA 135.662 5.585 . . . . 0.0 102.945 -165.437 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' OXT' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.586 1 C-N-CA 136.344 5.858 . . . . 0.0 109.92 -158.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 CA--C 1.599 2.85 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.306 0.5 OUTLIER -85.77 153.76 22.07 Favored 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 136.11 5.764 . . . . 0.0 108.719 156.775 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -103.2 92.78 4.67 Favored 'General case' 0 CA--C 1.608 3.177 1 C-N-CA 134.51 5.124 . . . . 0.0 114.871 -170.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -170.42 0.07 Allowed 'General case' 0 CA--C 1.598 2.792 1 C-N-CA 135.882 5.673 . . . . 0.0 107.746 166.624 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.301 8.9 tpt180 -53.81 -31.95 50.97 Favored 'General case' 0 CA--C 1.599 2.83 1 C-N-CA 135.438 5.495 . . . . 0.0 110.113 -159.97 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 10.5 pt -135.95 123.54 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.844 1 C-N-CA 136.868 6.067 . . . . 0.0 106.856 -177.598 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -126.04 71.07 68.8 Favored Pre-proline 0 C--O 1.272 2.26 1 C-N-CA 135.351 5.46 . . . . 0.0 118.691 175.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -29.05 61.14 Favored 'General case' 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.41 33.6 0.04 OUTLIER 'General case' 0 CA--C 1.597 2.771 1 C-N-CA 135.129 5.372 . . . . 0.0 116.964 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.267 23.3 t -113.63 -70.91 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 136.05 5.74 . . . . 0.0 102.921 166.795 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.911 5.684 . . . . 0.0 110.232 -164.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 CA--C 1.6 2.869 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.41 ' H ' ' HD3' ' A' ' 2' ' ' ARG 0.297 0.0 OUTLIER -87.01 143.34 27.37 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 136.408 5.883 . . . . 0.0 108.501 156.934 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.52 72.62 4.38 Favored 'General case' 0 CA--C 1.601 2.918 1 C-N-CA 135.752 5.621 . . . . 0.0 113.663 -172.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -157.75 0.01 OUTLIER 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 135.921 5.688 . . . . 0.0 107.7 -164.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 2.1 ttp180 -58.96 -29.95 67.55 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.779 5.632 . . . . 0.0 109.7 158.088 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.405 7.3 pt -134.19 115.32 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.867 1 C-N-CA 135.579 5.552 . . . . 0.0 106.606 -175.432 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -117.97 63.58 4.67 Favored Pre-proline 0 CA--C 1.581 2.163 1 C-N-CA 138.004 6.521 . . . . 0.0 116.039 -178.907 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' CA ' ' HB2' ' A' ' 19' ' ' MET 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' O ' ' OXT' ' A' ' 22' ' ' LEU . 3.9 mtp -74.52 -55.69 5.66 Favored 'General case' 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.95 -8.88 57.03 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.287 5.835 . . . . 0.0 117.131 -161.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 17.5 t -126.77 -60.86 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.819 1 C-N-CA 135.747 5.619 . . . . 0.0 102.781 -164.354 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' OXT' ' O ' ' A' ' 19' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 135.683 5.593 . . . . 0.0 110.186 -171.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' NH1' ' HA ' ' A' ' 4' ' ' LEU 0.319 0.0 OUTLIER -87.97 155.21 19.95 Favored 'General case' 0 CA--C 1.603 2.99 1 C-N-CA 136.54 5.936 . . . . 0.0 108.224 152.946 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.99 77.92 2.05 Favored 'General case' 0 CA--C 1.607 3.171 1 C-N-CA 134.293 5.037 . . . . 0.0 114.318 -173.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HA ' ' NH1' ' A' ' 2' ' ' ARG . 1.3 pp -54.17 -163.49 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.922 1 C-N-CA 136.589 5.956 . . . . 0.0 107.392 177.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' H ' HD12 ' A' ' 4' ' ' LEU 0.312 0.2 OUTLIER -54.06 -43.9 70.63 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.255 5.422 . . . . 0.0 109.65 -165.811 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.413 13.1 pt -141.93 123.91 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.882 1 C-N-CA 136.435 5.894 . . . . 0.0 106.44 -172.212 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -129.97 66.19 77.06 Favored Pre-proline 0 CA--C 1.582 2.192 1 C-N-CA 136.892 6.077 . . . . 0.0 116.098 -173.294 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.762 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm -74.83 -42.19 58.47 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -12.91 62.09 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.734 5.613 . . . . 0.0 117.167 -158.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.265 76.9 t -101.88 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.34 5.456 . . . . 0.0 103.008 -159.6 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' OXT' ' HG ' ' A' ' 22' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.489 1.496 1 C-N-CA 135.918 5.687 . . . . 0.0 110.444 -160.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 3' ' ' TYR 0.262 0.0 OUTLIER -82.51 142.84 31.53 Favored 'General case' 0 C--O 1.281 2.762 1 C-N-CA 135.9 5.68 . . . . 0.0 109.01 -154.724 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.447 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 17.8 m-85 -112.27 99.41 8.01 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 135.954 5.702 . . . . 0.0 113.953 -171.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.03 -173.31 0.18 Allowed 'General case' 0 CA--C 1.597 2.751 1 C-N-CA 136.654 5.981 . . . . 0.0 107.79 158.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 5' ' ' ARG 0.289 0.0 OUTLIER -54.97 -42.39 72.33 Favored 'General case' 0 CA--C 1.601 2.904 1 C-N-CA 135.93 5.692 . . . . 0.0 109.504 157.963 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' C ' ' HD3' ' A' ' 8' ' ' PRO 0.386 2.6 pt -134.58 108.24 10.26 Favored 'Isoleucine or valine' 0 C--O 1.284 2.893 1 C-N-CA 138.456 6.703 . . . . 0.0 106.172 -173.71 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 63.34 0.09 OUTLIER Pre-proline 0 CA--C 1.584 2.288 1 C-N-CA 135.741 5.616 . . . . 0.0 116.343 -177.455 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 6' ' ' ILE 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -36.2 64.06 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.99 25.94 0.08 Allowed 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.555 5.542 . . . . 0.0 117.342 -163.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.269 57.5 t -63.66 -35.32 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.841 1 C-N-CA 135.782 5.633 . . . . 0.0 103.057 166.781 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.491 1.604 1 C-N-CA 135.461 5.504 . . . . 0.0 110.02 163.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.285 2.967 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -85.19 101.32 12.39 Favored 'General case' 0 C--O 1.294 3.417 1 C-N-CA 135.373 5.469 . . . . 0.0 109.184 158.348 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -87.59 90.16 8.27 Favored 'General case' 0 CA--C 1.601 2.905 1 C-N-CA 135.713 5.605 . . . . 0.0 113.522 -165.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.75 -146.19 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.281 5.832 . . . . 0.0 108.226 -169.832 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 2.5 ttm-85 -56.13 -53.99 50.46 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 135.534 5.534 . . . . 0.0 110.189 165.253 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.396 8.8 pt -160.82 119.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.87 1 C-N-CA 136.7 6.0 . . . . 0.0 106.587 -158.013 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -115.88 60.68 1.79 Allowed Pre-proline 0 CA--C 1.583 2.217 1 C-N-CA 137.392 6.277 . . . . 0.0 116.091 -172.727 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.764 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -44.35 48.0 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -57.38 -14.58 4.89 Favored 'General case' 0 CA--C 1.598 2.802 1 C-N-CA 136.089 5.756 . . . . 0.0 117.39 -157.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 97.6 t -57.83 -51.35 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.812 1 C-N-CA 135.275 5.43 . . . . 0.0 102.76 -166.969 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' OXT' HD12 ' A' ' 22' ' ' LEU . 3.0 tp . . . . . 0 N--CA 1.489 1.519 1 C-N-CA 135.77 5.628 . . . . 0.0 110.124 -169.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.289 3.139 0 CA-C-O 116.699 -1.62 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.3 3.19 2.37 Favored 'General case' 0 CA--C 1.626 3.892 1 C-N-CA 134.983 5.313 . . . . 0.0 118.211 -158.918 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -104.07 53.73 0.74 Allowed 'General case' 0 CA--C 1.618 3.571 1 C-N-CA 134.99 5.316 . . . . 0.0 113.884 -165.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -48.53 -168.97 0.0 OUTLIER 'General case' 0 CA--C 1.607 3.143 1 C-N-CA 136.726 6.01 . . . . 0.0 107.016 156.806 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 1.4 ttp180 -50.94 -50.74 57.2 Favored 'General case' 0 C--O 1.296 3.548 1 C-N-CA 135.131 5.372 . . . . 0.0 110.955 -155.454 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.378 7.7 pt -166.19 118.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.282 2.776 1 C-N-CA 134.908 5.283 . . . . 0.0 107.401 -177.558 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -133.46 74.38 71.52 Favored Pre-proline 0 CA--C 1.59 2.51 1 C-N-CA 135.315 5.446 . . . . 0.0 115.571 171.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -51.97 13.72 Favored 'General case' 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -16.51 14.57 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.597 5.559 . . . . 0.0 117.337 -159.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.266 69.7 t -87.05 82.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.559 5.544 . . . . 0.0 102.76 -177.208 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.554 1 C-N-CA 135.646 5.578 . . . . 0.0 110.118 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.511 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.321 0.0 OUTLIER -86.85 113.75 22.92 Favored 'General case' 0 CA--C 1.604 3.044 1 C-N-CA 135.706 5.602 . . . . 0.0 108.76 -162.346 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -108.19 99.74 9.13 Favored 'General case' 0 CA--C 1.602 2.958 1 C-N-CA 135.157 5.383 . . . . 0.0 114.82 159.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.68 -173.34 0.0 OUTLIER 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 136.358 5.863 . . . . 0.0 107.896 158.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.87 ' HD2' HG23 ' A' ' 6' ' ' ILE 0.286 0.0 OUTLIER -54.98 -46.97 75.15 Favored 'General case' 0 CA--C 1.6 2.87 1 C-N-CA 136.402 5.881 . . . . 0.0 109.669 158.347 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.87 HG23 ' HD2' ' A' ' 5' ' ' ARG 0.388 3.2 pt -133.7 106.85 9.64 Favored 'Isoleucine or valine' 0 C--O 1.285 2.945 1 C-N-CA 137.552 6.341 . . . . 0.0 106.549 -166.063 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.46 64.07 0.07 OUTLIER Pre-proline 0 CA--C 1.584 2.279 1 C-N-CA 135.879 5.671 . . . . 0.0 116.591 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 6' ' ' ILE 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -34.91 64.19 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.78 24.42 0.12 Allowed 'General case' 0 CA--C 1.598 2.817 1 C-N-CA 135.77 5.628 . . . . 0.0 116.77 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 95.0 t -61.33 89.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.598 2.807 1 C-N-CA 135.659 5.584 . . . . 0.0 102.841 -166.129 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.549 1 C-N-CA 135.969 5.708 . . . . 0.0 110.146 -168.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 CA--C 1.6 2.87 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.296 18.4 mmt85 -86.63 154.49 20.98 Favored 'General case' 0 C--O 1.285 2.938 1 C-N-CA 136.165 5.786 . . . . 0.0 108.327 157.393 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.23 102.28 10.97 Favored 'General case' 0 CA--C 1.601 2.923 1 C-N-CA 135.493 5.517 . . . . 0.0 113.79 171.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -145.61 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.882 1 C-N-CA 136.209 5.804 . . . . 0.0 107.451 158.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 7.5 tpt85 -67.46 -60.6 2.44 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.796 5.639 . . . . 0.0 110.014 164.634 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 4.0 pt -137.09 109.82 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 137.0 6.12 . . . . 0.0 106.713 -162.96 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -104.79 59.79 0.11 Allowed Pre-proline 0 CA--C 1.584 2.265 1 C-N-CA 137.157 6.183 . . . . 0.0 116.039 -177.319 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 13' ' ' HIS 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.429 ' N ' HG12 ' A' ' 12' ' ' VAL . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -43.29 58.54 Favored 'General case' 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -59.19 -15.3 14.14 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.336 5.454 . . . . 0.0 117.065 -168.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 75.5 t -138.49 88.85 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.775 1 C-N-CA 135.513 5.525 . . . . 0.0 102.818 -163.84 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.535 1 C-N-CA 135.671 5.588 . . . . 0.0 110.098 -168.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.599 2.862 0 CA-C-O 118.757 -0.64 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 4.7 mmm180 -86.04 159.27 19.63 Favored 'General case' 0 CA--C 1.6 2.879 1 C-N-CA 136.292 5.837 . . . . 0.0 108.669 156.869 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -108.83 97.15 6.83 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 135.59 5.556 . . . . 0.0 113.862 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -149.06 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 136.502 5.921 . . . . 0.0 107.066 158.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -53.9 -74.69 0.04 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.071 5.348 . . . . 0.0 109.446 167.764 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.607 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.41 1.2 pt -128.71 124.12 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.901 1 C-N-CA 135.287 5.435 . . . . 0.0 106.721 -167.702 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.57 54.8 3.84 Favored Pre-proline 0 CA--C 1.586 2.338 1 C-N-CA 138.269 6.628 . . . . 0.0 116.606 -171.321 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.451 ' N ' HG12 ' A' ' 12' ' ' VAL . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -74.04 -22.07 59.7 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -76.95 21.25 0.22 Allowed 'General case' 0 CA--C 1.597 2.763 1 C-N-CA 135.553 5.541 . . . . 0.0 116.906 170.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 71.5 t -128.79 114.42 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.805 1 C-N-CA 135.876 5.671 . . . . 0.0 102.875 179.379 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.489 1.522 1 C-N-CA 135.542 5.537 . . . . 0.0 110.127 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.601 2.906 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.297 3.1 mmm-85 -85.48 152.88 22.86 Favored 'General case' 0 CA--C 1.599 2.859 1 C-N-CA 136.35 5.86 . . . . 0.0 108.939 156.69 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -96.13 86.68 4.33 Favored 'General case' 0 CA--C 1.607 3.138 1 C-N-CA 134.679 5.192 . . . . 0.0 114.712 -172.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -61.69 -138.94 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 137.07 6.148 . . . . 0.0 107.605 -179.047 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -74.02 -54.36 8.04 Favored 'General case' 0 C--O 1.285 2.927 1 C-N-CA 135.859 5.664 . . . . 0.0 110.648 166.336 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.416 7.8 pt -125.13 122.16 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 1 C-N-CA 135.392 5.477 . . . . 0.0 106.868 -170.675 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -130.15 70.01 82.06 Favored Pre-proline 0 CA--C 1.581 2.17 1 C-N-CA 137.944 6.498 . . . . 0.0 115.988 177.522 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -43.75 53.15 Favored 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -76.64 -85.21 0.06 Allowed 'General case' 0 CA--C 1.606 3.115 1 C-N-CA 134.83 5.252 . . . . 0.0 115.96 -159.825 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' N ' ' CG ' ' A' ' 20' ' ' GLU 0.275 4.4 t -132.75 -80.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.772 1 C-N-CA 136.162 5.785 . . . . 0.0 102.899 -166.335 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 1 C-N-CA 135.552 5.541 . . . . 0.0 110.139 -170.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.413 HG23 ' OH ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.6 2.886 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -85.84 99.32 11.3 Favored 'General case' 0 C--O 1.3 3.735 1 C-N-CA 135.766 5.626 . . . . 0.0 109.311 -159.62 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' OH ' HG23 ' A' ' 1' ' ' THR . 20.7 m-85 -103.25 46.34 0.92 Allowed 'General case' 0 CA--C 1.611 3.307 1 C-N-CA 134.882 5.273 . . . . 0.0 113.892 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' ' 6' ' ' ILE 0.251 0.0 OUTLIER -50.56 -153.61 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.013 1 C-N-CA 136.786 6.034 . . . . 0.0 107.227 169.056 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -67.08 -25.52 66.27 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 135.842 5.657 . . . . 0.0 110.752 -164.387 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' H ' HD13 ' A' ' 4' ' ' LEU 0.407 7.5 pt -135.06 123.02 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 135.393 5.477 . . . . 0.0 106.868 175.932 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.24 62.6 30.52 Favored Pre-proline 0 CA--C 1.583 2.234 1 C-N-CA 138.373 6.669 . . . . 0.0 116.27 -175.706 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 13' ' ' HIS 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm -70.99 -38.57 72.7 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.62 26.08 0.32 Allowed 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.411 5.484 . . . . 0.0 116.574 -160.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 23.5 t -68.44 -47.94 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.799 1 C-N-CA 135.583 5.553 . . . . 0.0 102.902 175.075 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.557 1 C-N-CA 135.96 5.704 . . . . 0.0 110.214 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.285 2.963 0 CA-C-O 116.859 -1.543 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -84.73 92.28 8.17 Favored 'General case' 0 C--O 1.291 3.249 1 C-N-CA 135.566 5.546 . . . . 0.0 109.176 -177.699 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -88.15 19.98 3.43 Favored 'General case' 0 CA--C 1.601 2.937 1 C-N-CA 136.532 5.933 . . . . 0.0 116.151 -156.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -179.61 0.01 OUTLIER 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 135.272 5.429 . . . . 0.0 107.422 167.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.309 0.0 OUTLIER -56.13 -24.2 39.32 Favored 'General case' 0 C--O 1.287 3.04 1 C-N-CA 134.963 5.305 . . . . 0.0 110.418 -167.975 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.409 9.5 pt -151.98 119.14 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.601 2.912 1 C-N-CA 136.107 5.763 . . . . 0.0 106.198 -168.937 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.0 61.51 7.55 Favored Pre-proline 0 CA--C 1.581 2.152 1 C-N-CA 136.983 6.113 . . . . 0.0 116.402 -170.954 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.79 62.86 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -68.96 24.8 0.03 OUTLIER 'General case' 0 CA--C 1.598 2.81 1 C-N-CA 135.656 5.582 . . . . 0.0 117.176 -167.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 39.6 t -64.06 -71.14 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.781 1 C-N-CA 136.233 5.813 . . . . 0.0 102.834 158.673 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.489 1.476 1 C-N-CA 135.87 5.668 . . . . 0.0 109.894 -158.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.599 2.838 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.413 0.7 OUTLIER -86.4 52.67 2.56 Favored 'General case' 0 CA--C 1.618 3.569 1 C-N-CA 134.699 5.2 . . . . 0.0 112.494 -159.152 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -117.34 49.8 1.17 Allowed 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.156 5.382 . . . . 0.0 114.138 -160.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -165.46 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.784 1 C-N-CA 135.651 5.58 . . . . 0.0 107.615 -178.287 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -60.55 -24.85 65.73 Favored 'General case' 0 C--O 1.286 3.006 1 C-N-CA 134.23 5.012 . . . . 0.0 109.763 161.565 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.392 1.2 pt -146.51 125.68 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.92 1 C-N-CA 135.262 5.425 . . . . 0.0 106.724 -172.949 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.16 55.59 9.91 Favored Pre-proline 0 CA--C 1.588 2.436 1 C-N-CA 138.62 6.768 . . . . 0.0 115.799 -171.555 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -36.31 61.65 Favored 'General case' 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.48 4.09 0.01 OUTLIER 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.797 5.639 . . . . 0.0 116.9 -157.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 58.9 t -99.96 104.52 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.783 1 C-N-CA 135.129 5.372 . . . . 0.0 102.819 160.677 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.493 1 C-N-CA 136.018 5.727 . . . . 0.0 110.167 174.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.794 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.334 0.0 OUTLIER -85.92 108.58 18.24 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.028 5.331 . . . . 0.0 108.944 -161.015 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.57 96.98 6.63 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 136.208 5.803 . . . . 0.0 113.318 159.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.79 -172.52 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 1 C-N-CA 134.979 5.312 . . . . 0.0 107.295 169.417 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.687 ' N ' HD13 ' A' ' 4' ' ' LEU 0.328 0.0 OUTLIER -52.79 -31.5 38.86 Favored 'General case' 0 CA--C 1.601 2.913 1 C-N-CA 134.113 4.965 . . . . 0.0 109.49 -159.934 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' H ' HD13 ' A' ' 4' ' ' LEU 0.384 13.1 pt -164.88 116.27 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.6 2.88 1 C-N-CA 136.482 5.913 . . . . 0.0 106.524 -166.93 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 61.42 0.4 Allowed Pre-proline 0 CA--C 1.585 2.289 1 C-N-CA 137.557 6.343 . . . . 0.0 115.977 -175.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 5 4 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' N ' HG12 ' A' ' 12' ' ' VAL . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -38.31 78.51 Favored 'General case' 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -79.78 19.51 0.67 Allowed 'General case' 0 CA--C 1.597 2.768 1 C-N-CA 135.398 5.479 . . . . 0.0 116.917 -174.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 22.3 t -58.34 -30.91 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.816 1 C-N-CA 135.512 5.525 . . . . 0.0 102.93 -174.01 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 1 C-N-CA 135.992 5.717 . . . . 0.0 110.068 159.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 4' ' ' LEU . 1.6 t . . . . . 0 CA--C 1.598 2.797 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.4 16.1 mtt180 -58.27 -90.32 0.0 OUTLIER 'General case' 0 CA--C 1.627 3.928 1 C-N-CA 134.734 5.214 . . . . 0.0 107.775 161.134 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -81.88 88.12 6.36 Favored 'General case' 0 CA--C 1.596 2.728 1 C-N-CA 136.887 6.075 . . . . 0.0 112.187 170.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 1' ' ' THR 0.268 1.2 pp -65.36 -134.92 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.01 1 C-N-CA 137.257 6.223 . . . . 0.0 107.506 178.307 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -69.45 -41.13 76.67 Favored 'General case' 0 C--O 1.285 2.933 1 C-N-CA 135.609 5.563 . . . . 0.0 110.466 159.475 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' C ' ' ND1' ' A' ' 7' ' ' HIS 0.409 13.8 pt -143.96 123.77 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.884 1 C-N-CA 135.277 5.431 . . . . 0.0 107.484 -159.104 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.85 68.91 55.73 Favored Pre-proline 0 C--O 1.272 2.24 1 C-N-CA 137.285 6.234 . . . . 0.0 117.895 177.497 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.768 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -43.76 55.2 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.84 -18.32 12.55 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 135.651 5.58 . . . . 0.0 116.993 -162.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 90.1 t -104.01 83.89 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.74 1 C-N-CA 135.422 5.489 . . . . 0.0 102.813 -166.925 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.504 1 C-N-CA 135.751 5.62 . . . . 0.0 110.145 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.814 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -84.33 107.73 16.77 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 135.147 5.379 . . . . 0.0 109.256 -163.253 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -111.05 28.89 8.29 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 135.528 5.531 . . . . 0.0 115.93 171.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -162.48 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.921 1 C-N-CA 135.73 5.612 . . . . 0.0 107.867 164.28 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 2.4 tpt180 -55.97 -33.81 65.14 Favored 'General case' 0 CA--C 1.598 2.82 1 C-N-CA 136.191 5.797 . . . . 0.0 109.745 -159.368 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.402 1.2 pt -134.38 124.97 46.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.889 1 C-N-CA 135.184 5.394 . . . . 0.0 106.81 -177.661 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 56.64 4.13 Favored Pre-proline 0 CA--C 1.587 2.385 1 C-N-CA 137.995 6.518 . . . . 0.0 117.095 -173.008 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.613 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 5 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 13' ' ' HIS 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.402 ' N ' HG12 ' A' ' 12' ' ' VAL . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -21.64 59.84 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -77.29 25.11 0.17 Allowed 'General case' 0 CA--C 1.597 2.764 1 C-N-CA 135.438 5.495 . . . . 0.0 117.053 165.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 11.4 t -136.21 99.22 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.941 5.696 . . . . 0.0 102.795 178.063 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.49 1.532 1 C-N-CA 135.558 5.543 . . . . 0.0 110.192 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.596 2.742 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER -82.74 141.0 32.73 Favored 'General case' 0 CA--C 1.599 2.835 1 C-N-CA 136.405 5.882 . . . . 0.0 108.442 156.683 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.9 m-85 -108.74 90.79 3.4 Favored 'General case' 0 CA--C 1.595 2.703 1 C-N-CA 136.511 5.924 . . . . 0.0 114.28 -149.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -65.82 176.97 1.4 Allowed 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.067 5.347 . . . . 0.0 107.391 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 0.2 OUTLIER -53.06 -24.57 10.2 Favored 'General case' 0 C--O 1.286 3.012 1 C-N-CA 135.039 5.336 . . . . 0.0 110.411 -177.118 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.386 3.4 pt -155.88 108.44 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.886 1 C-N-CA 135.621 5.568 . . . . 0.0 106.427 -167.737 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.17 65.76 0.42 Allowed Pre-proline 0 CA--C 1.582 2.204 1 C-N-CA 135.611 5.565 . . . . 0.0 116.518 178.203 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 5 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.535 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 13' ' ' HIS 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' N ' HG12 ' A' ' 12' ' ' VAL . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.53 64.68 Favored 'General case' 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -54.86 -2.39 0.03 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.67 5.588 . . . . 0.0 116.8 -165.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 91.9 t -107.97 117.77 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 1 C-N-CA 135.513 5.525 . . . . 0.0 102.912 164.334 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.531 1 C-N-CA 135.648 5.579 . . . . 0.0 110.158 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.599 2.839 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.449 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.338 0.0 OUTLIER -89.75 100.48 13.28 Favored 'General case' 0 CA--C 1.609 3.244 1 C-N-CA 135.494 5.517 . . . . 0.0 109.426 -158.914 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 1.5 m-85 -114.97 99.96 7.85 Favored 'General case' 0 CA--C 1.602 2.961 1 C-N-CA 136.165 5.786 . . . . 0.0 113.339 163.03 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.79 -152.36 0.01 OUTLIER 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.728 5.211 . . . . 0.0 107.21 171.776 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.3 7.7 tpt180 -58.51 -45.24 89.21 Favored 'General case' 0 CA--C 1.598 2.794 1 C-N-CA 135.029 5.332 . . . . 0.0 109.72 165.83 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.38 3.1 pt -135.65 108.05 8.22 Favored 'Isoleucine or valine' 0 C--O 1.285 2.944 1 C-N-CA 136.862 6.065 . . . . 0.0 106.834 -159.937 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.7 65.38 0.12 Allowed Pre-proline 0 CA--C 1.583 2.244 1 C-N-CA 135.933 5.693 . . . . 0.0 116.521 178.727 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 5 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -59.38 2.75 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.47 -10.17 4.62 Favored 'General case' 0 CA--C 1.598 2.793 1 C-N-CA 135.462 5.505 . . . . 0.0 117.268 -159.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 61.9 t -139.97 96.45 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.789 1 C-N-CA 135.557 5.543 . . . . 0.0 102.828 -170.044 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 136.037 5.735 . . . . 0.0 110.127 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.281 2.75 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 6.1 mmt-85 -87.97 143.96 26.81 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 136.047 5.739 . . . . 0.0 108.226 155.741 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . 1.7 m-30 -97.05 93.54 6.64 Favored 'General case' 0 CA--C 1.601 2.919 1 C-N-CA 136.057 5.743 . . . . 0.0 113.793 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -173.07 0.25 Allowed 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 135.906 5.683 . . . . 0.0 107.767 172.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -53.61 -24.76 14.93 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.325 5.45 . . . . 0.0 109.961 -173.293 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.387 2.8 pt -139.25 106.82 2.97 Favored 'Isoleucine or valine' 0 C--O 1.285 2.932 1 C-N-CA 135.696 5.598 . . . . 0.0 106.705 177.694 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.17 64.93 0.06 OUTLIER Pre-proline 0 CA--C 1.582 2.2 1 C-N-CA 135.996 5.718 . . . . 0.0 116.582 177.787 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 5 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -55.76 5.67 Favored 'General case' 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.67 -10.39 58.08 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 135.732 5.613 . . . . 0.0 117.154 -158.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 88.4 t -113.12 109.42 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 135.407 5.483 . . . . 0.0 102.831 -159.75 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.672 5.589 . . . . 0.0 110.313 169.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.363 0 CA-C-O 126.268 2.937 . . . . 0.0 115.656 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.272 2.26 0 N-CA-C 118.691 2.848 . . . . 0.0 118.691 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.163 0 CA-C-O 125.313 2.482 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' CA ' ' HB2' ' A' ' 19' ' ' MET 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HB2' ' CA ' ' A' ' 16' ' ' ALA . 3.9 mtp . . . . . 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.192 0 CA-C-O 125.317 2.484 . . . . 0.0 116.098 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.762 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.288 0 CA-C-O 125.73 2.681 . . . . 0.0 116.343 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' A' ' 11' ' ' TRP 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.217 0 CA-C-O 125.833 2.73 . . . . 0.0 116.091 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.764 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.59 2.51 0 CA-C-O 125.1 2.381 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.584 2.279 0 CA-C-O 125.579 2.609 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 11' ' ' TRP 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.265 0 CA-C-O 125.576 2.608 . . . . 0.0 116.039 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 13' ' ' HIS 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.429 ' N ' HG12 ' A' ' 12' ' ' VAL . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.586 2.338 0 CA-C-O 126.345 2.974 . . . . 0.0 116.606 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.451 ' N ' HG12 ' A' ' 12' ' ' VAL . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm . . . . . 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.17 0 CA-C-O 124.765 2.221 . . . . 0.0 115.988 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.234 0 CA-C-O 125.313 2.483 . . . . 0.0 116.27 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 13' ' ' HIS 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.424 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.581 2.152 0 CA-C-O 125.811 2.72 . . . . 0.0 116.402 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.588 2.436 0 CA-C-O 126.537 3.065 . . . . 0.0 115.799 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 7' ' ' HIS 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.585 2.289 0 CA-C-O 125.623 2.63 . . . . 0.0 115.977 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' N ' HG12 ' A' ' 12' ' ' VAL . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.24 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.768 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.385 0 CA-C-O 126.152 2.882 . . . . 0.0 117.095 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 13' ' ' HIS 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.402 ' N ' HG12 ' A' ' 12' ' ' VAL . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.582 2.204 0 CA-C-O 125.396 2.522 . . . . 0.0 116.518 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 5 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.535 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 13' ' ' HIS 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' N ' HG12 ' A' ' 12' ' ' VAL . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.583 2.244 0 CA-C-O 125.524 2.583 . . . . 0.0 116.521 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.582 2.2 0 CA-C-O 125.296 2.474 . . . . 0.0 116.582 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.597 2.77 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.262 2.7 mtp180 -68.44 3.82 1.61 Allowed 'General case' 0 CA--C 1.626 3.875 1 C-N-CA 135.271 5.428 . . . . 0.0 118.032 -158.732 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -104.24 62.89 0.74 Allowed 'General case' 0 CA--C 1.602 2.956 1 C-N-CA 136.392 5.877 . . . . 0.0 113.917 -163.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.14 -141.42 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.872 1 C-N-CA 136.447 5.899 . . . . 0.0 107.53 164.609 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.29 10.5 mmt85 -61.75 -71.64 0.14 Allowed 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 135.85 5.66 . . . . 0.0 109.761 159.278 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.635 HD12 ' HG3' ' A' ' 8' ' ' PRO 0.413 1.3 pt -118.24 124.3 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.974 1 C-N-CA 135.638 5.575 . . . . 0.0 106.499 -164.964 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -123.51 57.12 11.1 Favored Pre-proline 0 CA--C 1.586 2.363 1 C-N-CA 139.426 7.09 . . . . 0.0 115.656 -176.995 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.635 ' HG3' HD12 ' A' ' 6' ' ' ILE 0.275 21.5 Cg_endo -48.58 -24.3 6.38 Favored 'Trans proline' 1 N--CA 1.556 5.178 3 N-CA-C 127.184 5.802 . . . . 0.0 127.184 178.07 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.9 -34.38 69.08 Favored 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 133.881 4.872 . . . . 0.0 116.361 172.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.14 -46.48 50.76 Favored 'General case' 0 CA--C 1.596 2.714 1 C-N-CA 134.832 5.253 . . . . 0.0 113.403 -176.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.27 1.1 m0 -61.12 -38.71 87.3 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.938 5.295 . . . . 0.0 106.516 177.058 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 0.8 OUTLIER -60.29 -46.63 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.956 1 C-N-CA 134.641 5.177 . . . . 0.0 102.24 -164.484 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.84 -50.08 68.07 Favored 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 136.317 5.847 . . . . 0.0 116.072 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.11 -17.13 61.99 Favored 'General case' 0 CA--C 1.598 2.816 1 C-N-CA 135.56 5.544 . . . . 0.0 116.835 165.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.2 OUTLIER -81.22 -52.07 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.763 1 C-N-CA 136.283 5.833 . . . . 0.0 107.802 179.428 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -61.4 -50.97 70.7 Favored 'General case' 0 CA--C 1.599 2.844 1 C-N-CA 135.854 5.662 . . . . 0.0 115.66 165.47 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.1 82.68 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 136.839 6.056 . . . . 0.0 107.625 -172.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 3.9 mtt85 -64.06 -37.1 86.22 Favored 'General case' 0 CA--C 1.605 3.064 1 C-N-CA 135.501 5.521 . . . . 0.0 110.964 161.815 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -36.25 64.9 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 135.106 5.362 . . . . 0.0 110.182 176.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -6.04 6.95 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.882 5.673 . . . . 0.0 117.117 -160.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG12 ' OXT' ' A' ' 22' ' ' LEU 0.273 25.7 t -116.23 -70.78 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.79 1 C-N-CA 135.662 5.585 . . . . 0.0 102.945 -165.437 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' OXT' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.586 1 C-N-CA 136.344 5.858 . . . . 0.0 109.92 -158.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 CA--C 1.599 2.85 0 CA-C-O 118.818 -0.611 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.306 0.5 OUTLIER -85.77 153.76 22.07 Favored 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 136.11 5.764 . . . . 0.0 108.719 156.775 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -103.2 92.78 4.67 Favored 'General case' 0 CA--C 1.608 3.177 1 C-N-CA 134.51 5.124 . . . . 0.0 114.871 -170.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -170.42 0.07 Allowed 'General case' 0 CA--C 1.598 2.792 1 C-N-CA 135.882 5.673 . . . . 0.0 107.746 166.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.301 8.9 tpt180 -53.81 -31.95 50.97 Favored 'General case' 0 CA--C 1.599 2.83 1 C-N-CA 135.438 5.495 . . . . 0.0 110.113 -159.97 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 10.5 pt -135.95 123.54 35.18 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.844 1 C-N-CA 136.868 6.067 . . . . 0.0 106.856 -177.598 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -126.04 71.07 68.8 Favored Pre-proline 0 C--O 1.272 2.26 1 C-N-CA 135.351 5.46 . . . . 0.0 118.691 175.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.284 9.4 Cg_exo -49.05 -17.7 1.42 Allowed 'Trans proline' 1 N--CA 1.56 5.419 2 N-CA-C 127.079 5.761 . . . . 0.0 127.079 173.331 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -77.55 -34.38 53.82 Favored 'General case' 0 C--O 1.283 2.861 1 C-N-CA 136.139 5.776 . . . . 0.0 116.825 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 t -73.08 -42.75 62.69 Favored 'General case' 0 CA--C 1.596 2.732 1 C-N-CA 134.396 5.078 . . . . 0.0 114.015 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.268 0.7 OUTLIER -67.5 -38.53 84.48 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 135.034 5.334 . . . . 0.0 106.178 171.744 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.29 1.2 t -60.82 -47.6 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.918 1 C-N-CA 134.522 5.129 . . . . 0.0 102.25 -162.969 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.7 t60 -52.02 -66.47 0.38 Allowed 'General case' 0 CA--C 1.604 3.045 1 C-N-CA 134.908 5.283 . . . . 0.0 114.277 171.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.07 -20.34 0.34 Allowed 'General case' 0 CA--C 1.598 2.824 1 C-N-CA 136.23 5.812 . . . . 0.0 116.583 166.289 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.8 OUTLIER -84.89 -42.68 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.838 1 C-N-CA 136.409 5.884 . . . . 0.0 108.247 -176.643 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -60.36 -46.19 90.81 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 136.077 5.751 . . . . 0.0 115.793 161.582 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.55 -33.3 75.37 Favored 'General case' 0 C--O 1.282 2.801 1 C-N-CA 136.789 6.035 . . . . 0.0 109.142 173.377 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.321 2.6 ttt-85 -65.01 -44.92 87.64 Favored 'General case' 0 CA--C 1.605 3.086 1 C-N-CA 134.483 5.113 . . . . 0.0 110.443 163.119 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -29.05 61.14 Favored 'General case' 0 C--O 1.284 2.894 1 C-N-CA 135.447 5.499 . . . . 0.0 110.112 -168.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.41 33.6 0.04 OUTLIER 'General case' 0 CA--C 1.597 2.771 1 C-N-CA 135.129 5.372 . . . . 0.0 116.964 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.267 23.3 t -113.63 -70.91 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 136.05 5.74 . . . . 0.0 102.921 166.795 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.911 5.684 . . . . 0.0 110.232 -164.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 CA--C 1.6 2.869 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.41 ' H ' ' HD3' ' A' ' 2' ' ' ARG 0.297 0.0 OUTLIER -87.01 143.34 27.37 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 136.408 5.883 . . . . 0.0 108.501 156.934 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.52 72.62 4.38 Favored 'General case' 0 CA--C 1.601 2.918 1 C-N-CA 135.752 5.621 . . . . 0.0 113.663 -172.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -157.75 0.01 OUTLIER 'General case' 0 CA--C 1.597 2.767 1 C-N-CA 135.921 5.688 . . . . 0.0 107.7 -164.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 2.1 ttp180 -58.96 -29.95 67.55 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.779 5.632 . . . . 0.0 109.7 158.088 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.405 7.3 pt -134.19 115.32 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.867 1 C-N-CA 135.579 5.552 . . . . 0.0 106.606 -175.432 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -117.97 63.58 4.67 Favored Pre-proline 0 CA--C 1.581 2.163 1 C-N-CA 138.004 6.521 . . . . 0.0 116.039 -178.907 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.291 10.3 Cg_endo -48.04 -16.98 0.69 Allowed 'Trans proline' 1 N--CA 1.559 5.355 3 N-CA-C 127.302 5.847 . . . . 0.0 127.302 177.552 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -76.34 -34.0 58.97 Favored 'General case' 0 C--O 1.287 3.028 1 C-N-CA 136.753 6.021 . . . . 0.0 118.115 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 t -73.49 -44.88 56.84 Favored 'General case' 0 CA--C 1.596 2.716 1 C-N-CA 134.453 5.101 . . . . 0.0 113.903 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.282 0.8 OUTLIER -61.67 -35.39 77.84 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 135.252 5.421 . . . . 0.0 106.909 172.209 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.298 0.8 OUTLIER -60.41 -46.46 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.98 1 C-N-CA 134.738 5.215 . . . . 0.0 102.23 -165.997 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.26 -48.2 76.66 Favored 'General case' 0 CA--C 1.596 2.724 1 C-N-CA 136.419 5.887 . . . . 0.0 115.589 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -22.37 65.4 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 135.08 5.352 . . . . 0.0 117.182 162.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.404 0.5 OUTLIER -78.98 -50.01 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.818 1 C-N-CA 135.24 5.416 . . . . 0.0 107.404 177.825 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' CA ' ' HB2' ' A' ' 19' ' ' MET 0.268 . . -64.17 -35.77 81.86 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.927 5.691 . . . . 0.0 115.849 171.273 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -47.35 8.76 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 137.635 6.374 . . . . 0.0 107.067 -166.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -68.62 -21.44 64.48 Favored 'General case' 0 C--O 1.29 3.235 1 C-N-CA 137.222 6.209 . . . . 0.0 111.485 161.814 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' O ' ' OXT' ' A' ' 22' ' ' LEU . 3.9 mtp -74.52 -55.69 5.66 Favored 'General case' 0 CA--C 1.601 2.908 1 C-N-CA 135.354 5.462 . . . . 0.0 109.446 174.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.95 -8.88 57.03 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.287 5.835 . . . . 0.0 117.131 -161.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 17.5 t -126.77 -60.86 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.819 1 C-N-CA 135.747 5.619 . . . . 0.0 102.781 -164.354 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' OXT' ' O ' ' A' ' 19' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 135.683 5.593 . . . . 0.0 110.186 -171.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' NH1' ' HA ' ' A' ' 4' ' ' LEU 0.319 0.0 OUTLIER -87.97 155.21 19.95 Favored 'General case' 0 CA--C 1.603 2.99 1 C-N-CA 136.54 5.936 . . . . 0.0 108.224 152.946 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.99 77.92 2.05 Favored 'General case' 0 CA--C 1.607 3.171 1 C-N-CA 134.293 5.037 . . . . 0.0 114.318 -173.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HA ' ' NH1' ' A' ' 2' ' ' ARG . 1.3 pp -54.17 -163.49 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.922 1 C-N-CA 136.589 5.956 . . . . 0.0 107.392 177.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' H ' HD12 ' A' ' 4' ' ' LEU 0.312 0.2 OUTLIER -54.06 -43.9 70.63 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.255 5.422 . . . . 0.0 109.65 -165.811 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.413 13.1 pt -141.93 123.91 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.882 1 C-N-CA 136.435 5.894 . . . . 0.0 106.44 -172.212 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -129.97 66.19 77.06 Favored Pre-proline 0 CA--C 1.582 2.192 1 C-N-CA 136.892 6.077 . . . . 0.0 116.098 -173.294 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.282 22.8 Cg_exo -44.18 -20.58 0.31 Allowed 'Trans proline' 1 N--CA 1.558 5.312 3 N-CA-C 127.334 5.859 . . . . 0.0 127.334 174.64 . . . . . . . . 4 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.3 -35.1 61.33 Favored 'General case' 0 C--O 1.287 3.035 1 C-N-CA 136.134 5.774 . . . . 0.0 117.561 172.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -72.49 -43.63 63.39 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 134.601 5.16 . . . . 0.0 113.871 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.269 0.8 OUTLIER -65.29 -38.33 89.91 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.673 5.589 . . . . 0.0 106.547 171.762 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.292 0.8 OUTLIER -60.34 -45.93 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.91 1 C-N-CA 134.616 5.166 . . . . 0.0 102.293 -163.635 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.762 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.7 t60 -54.2 -67.31 0.27 Allowed 'General case' 0 CA--C 1.603 2.991 1 C-N-CA 134.394 5.078 . . . . 0.0 114.21 168.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -50.07 -14.24 0.14 Allowed 'General case' 0 CA--C 1.599 2.838 1 C-N-CA 135.412 5.485 . . . . 0.0 116.41 169.033 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -83.96 -45.52 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.817 1 C-N-CA 137.035 6.134 . . . . 0.0 107.723 -177.701 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.269 . . -59.96 -51.22 70.61 Favored 'General case' 0 CA--C 1.6 2.884 1 C-N-CA 136.392 5.877 . . . . 0.0 116.09 160.904 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.1 -33.88 76.8 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 136.834 6.054 . . . . 0.0 108.959 177.933 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.322 43.7 ttt85 -66.25 -38.11 87.09 Favored 'General case' 0 CA--C 1.603 3.003 1 C-N-CA 134.303 5.041 . . . . 0.0 111.053 162.971 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mmm -74.83 -42.19 58.47 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 135.463 5.505 . . . . 0.0 109.99 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -12.91 62.09 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 135.734 5.613 . . . . 0.0 117.167 -158.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.265 76.9 t -101.88 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.34 5.456 . . . . 0.0 103.008 -159.6 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' OXT' ' HG ' ' A' ' 22' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.489 1.496 1 C-N-CA 135.918 5.687 . . . . 0.0 110.444 -160.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 CA--C 1.596 2.732 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 3' ' ' TYR 0.262 0.0 OUTLIER -82.51 142.84 31.53 Favored 'General case' 0 C--O 1.281 2.762 1 C-N-CA 135.9 5.68 . . . . 0.0 109.01 -154.724 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.447 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 17.8 m-85 -112.27 99.41 8.01 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 135.954 5.702 . . . . 0.0 113.953 -171.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.03 -173.31 0.18 Allowed 'General case' 0 CA--C 1.597 2.751 1 C-N-CA 136.654 5.981 . . . . 0.0 107.79 158.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 5' ' ' ARG 0.289 0.0 OUTLIER -54.97 -42.39 72.33 Favored 'General case' 0 CA--C 1.601 2.904 1 C-N-CA 135.93 5.692 . . . . 0.0 109.504 157.963 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' C ' ' HD3' ' A' ' 8' ' ' PRO 0.386 2.6 pt -134.58 108.24 10.26 Favored 'Isoleucine or valine' 0 C--O 1.284 2.893 1 C-N-CA 138.456 6.703 . . . . 0.0 106.172 -173.71 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 63.34 0.09 OUTLIER Pre-proline 0 CA--C 1.584 2.288 1 C-N-CA 135.741 5.616 . . . . 0.0 116.343 -177.455 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 6' ' ' ILE 0.272 14.4 Cg_endo -52.06 -29.86 38.18 Favored 'Trans proline' 1 N--CA 1.556 5.179 3 N-CA-C 127.11 5.773 . . . . 0.0 127.11 173.991 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -59.29 -39.71 83.82 Favored 'General case' 0 CA--C 1.602 2.965 1 C-N-CA 133.99 4.916 . . . . 0.0 116.642 167.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -73.27 -38.8 65.81 Favored 'General case' 0 CA--C 1.596 2.741 1 C-N-CA 134.821 5.248 . . . . 0.0 113.628 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.272 0.7 OUTLIER -70.05 -38.55 75.83 Favored 'General case' 0 CA--C 1.595 2.707 1 C-N-CA 134.718 5.207 . . . . 0.0 106.392 171.281 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.83 -47.14 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.935 1 C-N-CA 134.882 5.273 . . . . 0.0 102.273 -163.117 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -64.93 -42.49 94.64 Favored 'General case' 0 CA--C 1.596 2.749 1 C-N-CA 136.344 5.857 . . . . 0.0 115.502 178.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -26.29 66.32 Favored 'General case' 0 CA--C 1.598 2.803 1 C-N-CA 134.115 4.966 . . . . 0.0 116.736 161.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.4 OUTLIER -83.37 -50.62 15.32 Favored 'Isoleucine or valine' 0 C--O 1.284 2.896 1 C-N-CA 135.656 5.583 . . . . 0.0 108.298 -177.628 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.271 . . -62.73 -45.21 93.76 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 135.735 5.614 . . . . 0.0 115.591 167.398 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.06 82.47 Favored 'General case' 0 CA--C 1.597 2.769 1 C-N-CA 136.668 5.987 . . . . 0.0 107.844 -173.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -64.82 -33.42 75.95 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.884 5.673 . . . . 0.0 111.24 166.134 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -36.2 64.06 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.794 5.637 . . . . 0.0 110.868 179.058 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -73.99 25.94 0.08 Allowed 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 135.555 5.542 . . . . 0.0 117.342 -163.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.269 57.5 t -63.66 -35.32 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.841 1 C-N-CA 135.782 5.633 . . . . 0.0 103.057 166.781 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.491 1.604 1 C-N-CA 135.461 5.504 . . . . 0.0 110.02 163.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.285 2.967 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -85.19 101.32 12.39 Favored 'General case' 0 C--O 1.294 3.417 1 C-N-CA 135.373 5.469 . . . . 0.0 109.184 158.348 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -87.59 90.16 8.27 Favored 'General case' 0 CA--C 1.601 2.905 1 C-N-CA 135.713 5.605 . . . . 0.0 113.522 -165.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -64.75 -146.19 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.281 5.832 . . . . 0.0 108.226 -169.832 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 2.5 ttm-85 -56.13 -53.99 50.46 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 135.534 5.534 . . . . 0.0 110.189 165.253 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.396 8.8 pt -160.82 119.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.87 1 C-N-CA 136.7 6.0 . . . . 0.0 106.587 -158.013 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -115.88 60.68 1.79 Allowed Pre-proline 0 CA--C 1.583 2.217 1 C-N-CA 137.392 6.277 . . . . 0.0 116.091 -172.727 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.279 18.5 Cg_endo -51.64 -25.51 20.23 Favored 'Trans proline' 1 N--CA 1.556 5.185 3 N-CA-C 127.507 5.926 . . . . 0.0 127.507 175.864 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.41 -36.79 85.01 Favored 'General case' 0 C--O 1.284 2.919 1 C-N-CA 136.22 5.808 . . . . 0.0 117.758 166.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -72.11 -41.19 67.54 Favored 'General case' 0 CA--C 1.595 2.705 1 C-N-CA 134.643 5.177 . . . . 0.0 113.541 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.251 0.6 OUTLIER -68.54 -40.55 80.65 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 134.94 5.296 . . . . 0.0 106.014 172.411 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.9 OUTLIER -61.26 -44.52 98.56 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 134.66 5.184 . . . . 0.0 102.351 -162.865 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.764 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 24.7 t60 -58.14 -62.59 1.72 Allowed 'General case' 0 CA--C 1.603 3.012 1 C-N-CA 135.007 5.323 . . . . 0.0 114.39 172.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 8.3 tp-100 -52.95 -15.01 0.66 Allowed 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.932 5.693 . . . . 0.0 116.478 167.148 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.39 0.2 OUTLIER -83.53 -43.6 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.835 6.054 . . . . 0.0 107.894 -179.298 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.268 . . -61.99 -48.52 79.97 Favored 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.641 5.577 . . . . 0.0 116.061 162.041 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -66.0 -32.86 74.59 Favored 'General case' 0 CA--C 1.597 2.774 1 C-N-CA 136.489 5.916 . . . . 0.0 108.438 174.26 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -64.82 -44.12 90.88 Favored 'General case' 0 CA--C 1.605 3.076 1 C-N-CA 135.194 5.398 . . . . 0.0 110.65 165.579 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -44.35 48.0 Favored 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 136.039 5.736 . . . . 0.0 110.904 -174.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -57.38 -14.58 4.89 Favored 'General case' 0 CA--C 1.598 2.802 1 C-N-CA 136.089 5.756 . . . . 0.0 117.39 -157.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 97.6 t -57.83 -51.35 71.51 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.812 1 C-N-CA 135.275 5.43 . . . . 0.0 102.76 -166.969 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' OXT' HD12 ' A' ' 22' ' ' LEU . 3.0 tp . . . . . 0 N--CA 1.489 1.519 1 C-N-CA 135.77 5.628 . . . . 0.0 110.124 -169.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.289 3.139 0 CA-C-O 116.699 -1.62 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.3 3.19 2.37 Favored 'General case' 0 CA--C 1.626 3.892 1 C-N-CA 134.983 5.313 . . . . 0.0 118.211 -158.918 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -104.07 53.73 0.74 Allowed 'General case' 0 CA--C 1.618 3.571 1 C-N-CA 134.99 5.316 . . . . 0.0 113.884 -165.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -48.53 -168.97 0.0 OUTLIER 'General case' 0 CA--C 1.607 3.143 1 C-N-CA 136.726 6.01 . . . . 0.0 107.016 156.806 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 1.4 ttp180 -50.94 -50.74 57.2 Favored 'General case' 0 C--O 1.296 3.548 1 C-N-CA 135.131 5.372 . . . . 0.0 110.955 -155.454 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.378 7.7 pt -166.19 118.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.282 2.776 1 C-N-CA 134.908 5.283 . . . . 0.0 107.401 -177.558 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -133.46 74.38 71.52 Favored Pre-proline 0 CA--C 1.59 2.51 1 C-N-CA 135.315 5.446 . . . . 0.0 115.571 171.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 11.5 Cg_exo -42.98 -16.48 0.07 OUTLIER 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.191 5.804 . . . . 0.0 127.191 173.574 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -71.1 -36.6 72.25 Favored 'General case' 0 C--O 1.284 2.882 1 C-N-CA 136.607 5.963 . . . . 0.0 117.147 173.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -73.39 -37.76 65.86 Favored 'General case' 0 C--O 1.28 2.692 1 C-N-CA 134.066 4.946 . . . . 0.0 113.508 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.272 0.5 OUTLIER -71.81 -39.2 69.99 Favored 'General case' 0 CA--C 1.594 2.663 1 C-N-CA 134.862 5.265 . . . . 0.0 106.304 169.428 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.289 1.0 OUTLIER -60.64 -49.05 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.943 1 C-N-CA 134.664 5.185 . . . . 0.0 101.99 -163.126 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -64.94 -46.02 83.34 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 136.072 5.749 . . . . 0.0 115.652 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.14 -26.2 67.52 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.018 5.327 . . . . 0.0 116.78 164.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.3 OUTLIER -83.35 -50.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.847 1 C-N-CA 136.369 5.868 . . . . 0.0 108.421 -177.086 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.276 . . -63.84 -46.83 83.26 Favored 'General case' 0 CA--C 1.598 2.826 1 C-N-CA 135.897 5.679 . . . . 0.0 115.673 166.503 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -50.82 61.91 Favored 'General case' 0 CA--C 1.599 2.845 1 C-N-CA 136.616 5.966 . . . . 0.0 107.233 -175.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.304 0.0 OUTLIER -66.18 -21.49 66.32 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 136.359 5.863 . . . . 0.0 111.368 168.707 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -51.97 13.72 Favored 'General case' 0 CA--C 1.599 2.829 1 C-N-CA 135.342 5.457 . . . . 0.0 110.066 169.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -16.51 14.57 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.597 5.559 . . . . 0.0 117.337 -159.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.266 69.7 t -87.05 82.59 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.559 5.544 . . . . 0.0 102.76 -177.208 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.554 1 C-N-CA 135.646 5.578 . . . . 0.0 110.118 -175.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.511 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.321 0.0 OUTLIER -86.85 113.75 22.92 Favored 'General case' 0 CA--C 1.604 3.044 1 C-N-CA 135.706 5.602 . . . . 0.0 108.76 -162.346 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -108.19 99.74 9.13 Favored 'General case' 0 CA--C 1.602 2.958 1 C-N-CA 135.157 5.383 . . . . 0.0 114.82 159.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.68 -173.34 0.0 OUTLIER 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 136.358 5.863 . . . . 0.0 107.896 158.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.87 ' HD2' HG23 ' A' ' 6' ' ' ILE 0.286 0.0 OUTLIER -54.98 -46.97 75.15 Favored 'General case' 0 CA--C 1.6 2.87 1 C-N-CA 136.402 5.881 . . . . 0.0 109.669 158.347 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.87 HG23 ' HD2' ' A' ' 5' ' ' ARG 0.388 3.2 pt -133.7 106.85 9.64 Favored 'Isoleucine or valine' 0 C--O 1.285 2.945 1 C-N-CA 137.552 6.341 . . . . 0.0 106.549 -166.063 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.46 64.07 0.07 OUTLIER Pre-proline 0 CA--C 1.584 2.279 1 C-N-CA 135.879 5.671 . . . . 0.0 116.591 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 6' ' ' ILE 0.275 14.5 Cg_endo -52.0 -27.46 28.64 Favored 'Trans proline' 1 N--CA 1.557 5.234 3 N-CA-C 127.225 5.817 . . . . 0.0 127.225 174.034 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -61.51 -38.63 88.06 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 136.629 5.972 . . . . 0.0 117.723 166.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 t -73.72 -38.82 64.67 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.455 5.102 . . . . 0.0 113.98 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.276 0.5 OUTLIER -69.93 -37.76 75.99 Favored 'General case' 0 CA--C 1.595 2.689 1 C-N-CA 135.051 5.34 . . . . 0.0 106.445 170.289 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.293 0.8 OUTLIER -60.34 -47.77 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 1 C-N-CA 134.736 5.214 . . . . 0.0 102.207 -163.926 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -64.46 -48.05 76.72 Favored 'General case' 0 CA--C 1.597 2.785 1 C-N-CA 136.026 5.73 . . . . 0.0 115.619 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -20.0 63.85 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.378 5.471 . . . . 0.0 116.936 164.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.393 0.2 OUTLIER -83.17 -49.1 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 136.411 5.884 . . . . 0.0 107.951 -179.285 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.28 -41.23 73.67 Favored 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.843 5.657 . . . . 0.0 115.869 170.44 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -46.89 74.0 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.605 5.962 . . . . 0.0 107.7 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -66.04 -28.55 68.94 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 136.107 5.763 . . . . 0.0 111.281 167.762 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -34.91 64.19 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.623 5.569 . . . . 0.0 110.397 174.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.78 24.42 0.12 Allowed 'General case' 0 CA--C 1.598 2.817 1 C-N-CA 135.77 5.628 . . . . 0.0 116.77 -176.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 95.0 t -61.33 89.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.598 2.807 1 C-N-CA 135.659 5.584 . . . . 0.0 102.841 -166.129 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.549 1 C-N-CA 135.969 5.708 . . . . 0.0 110.146 -168.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 CA--C 1.6 2.87 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.296 18.4 mmt85 -86.63 154.49 20.98 Favored 'General case' 0 C--O 1.285 2.938 1 C-N-CA 136.165 5.786 . . . . 0.0 108.327 157.393 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.23 102.28 10.97 Favored 'General case' 0 CA--C 1.601 2.923 1 C-N-CA 135.493 5.517 . . . . 0.0 113.79 171.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -145.61 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.882 1 C-N-CA 136.209 5.804 . . . . 0.0 107.451 158.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.294 7.5 tpt85 -67.46 -60.6 2.44 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.796 5.639 . . . . 0.0 110.014 164.634 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.395 4.0 pt -137.09 109.82 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.848 1 C-N-CA 137.0 6.12 . . . . 0.0 106.713 -162.96 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -104.79 59.79 0.11 Allowed Pre-proline 0 CA--C 1.584 2.265 1 C-N-CA 137.157 6.183 . . . . 0.0 116.039 -177.319 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.274 19.1 Cg_endo -48.99 -23.8 6.57 Favored 'Trans proline' 1 N--CA 1.557 5.251 3 N-CA-C 127.632 5.974 . . . . 0.0 127.632 178.683 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -71.23 -34.99 71.29 Favored 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.273 5.429 . . . . 0.0 117.123 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -43.46 59.76 Favored 'General case' 0 CA--C 1.596 2.731 1 C-N-CA 134.794 5.238 . . . . 0.0 113.753 -177.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.279 0.6 OUTLIER -64.66 -36.68 85.06 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.213 5.405 . . . . 0.0 106.778 173.176 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 13' ' ' HIS 0.29 0.8 OUTLIER -60.47 -49.51 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.992 1 C-N-CA 134.877 5.271 . . . . 0.0 102.05 -165.349 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.429 ' N ' HG12 ' A' ' 12' ' ' VAL . 59.7 t60 -64.06 -51.23 65.11 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 136.346 5.858 . . . . 0.0 115.595 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -20.29 62.67 Favored 'General case' 0 CA--C 1.599 2.863 1 C-N-CA 135.453 5.501 . . . . 0.0 116.807 165.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.2 OUTLIER -82.52 -49.76 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 136.265 5.826 . . . . 0.0 108.013 179.957 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -66.47 -43.73 84.69 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.841 5.656 . . . . 0.0 115.685 168.983 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.54 -44.86 81.26 Favored 'General case' 0 CA--C 1.596 2.75 1 C-N-CA 136.589 5.956 . . . . 0.0 107.673 -175.278 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.309 27.1 ttt-85 -67.87 -30.69 70.12 Favored 'General case' 0 CA--C 1.603 2.988 1 C-N-CA 134.798 5.239 . . . . 0.0 111.533 168.636 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -43.29 58.54 Favored 'General case' 0 CA--C 1.596 2.748 1 C-N-CA 135.615 5.566 . . . . 0.0 110.328 177.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -59.19 -15.3 14.14 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.336 5.454 . . . . 0.0 117.065 -168.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 75.5 t -138.49 88.85 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.775 1 C-N-CA 135.513 5.525 . . . . 0.0 102.818 -163.84 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.535 1 C-N-CA 135.671 5.588 . . . . 0.0 110.098 -168.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.599 2.862 0 CA-C-O 118.757 -0.64 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 4.7 mmm180 -86.04 159.27 19.63 Favored 'General case' 0 CA--C 1.6 2.879 1 C-N-CA 136.292 5.837 . . . . 0.0 108.669 156.869 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -108.83 97.15 6.83 Favored 'General case' 0 CA--C 1.601 2.939 1 C-N-CA 135.59 5.556 . . . . 0.0 113.862 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -149.06 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 136.502 5.921 . . . . 0.0 107.066 158.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -53.9 -74.69 0.04 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.071 5.348 . . . . 0.0 109.446 167.764 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.607 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.41 1.2 pt -128.71 124.12 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.901 1 C-N-CA 135.287 5.435 . . . . 0.0 106.721 -167.702 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.57 54.8 3.84 Favored Pre-proline 0 CA--C 1.586 2.338 1 C-N-CA 138.269 6.628 . . . . 0.0 116.606 -171.321 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.607 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.277 17.7 Cg_endo -48.2 -24.17 5.47 Favored 'Trans proline' 1 N--CA 1.555 5.121 3 N-CA-C 127.178 5.799 . . . . 0.0 127.178 174.31 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -64.92 -38.08 89.79 Favored 'General case' 0 C--O 1.286 3.015 1 C-N-CA 136.227 5.811 . . . . 0.0 117.502 165.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -73.18 -43.3 61.62 Favored 'General case' 0 CA--C 1.597 2.756 1 C-N-CA 134.549 5.139 . . . . 0.0 113.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 8' ' ' PRO 0.281 0.7 OUTLIER -66.24 -36.0 81.88 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 135.333 5.453 . . . . 0.0 106.791 172.589 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.43 -50.25 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.97 1 C-N-CA 134.765 5.226 . . . . 0.0 102.162 -165.625 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.451 ' N ' HG12 ' A' ' 12' ' ' VAL . 54.3 t60 -58.68 -57.8 11.41 Favored 'General case' 0 CA--C 1.596 2.723 1 C-N-CA 135.622 5.569 . . . . 0.0 115.564 176.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.6 22.11 Favored 'General case' 0 CA--C 1.6 2.88 1 C-N-CA 133.87 4.868 . . . . 0.0 116.056 166.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.398 0.5 OUTLIER -77.92 -50.95 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.797 1 C-N-CA 136.282 5.833 . . . . 0.0 107.539 -178.413 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.273 . . -65.38 -30.05 70.83 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 135.951 5.7 . . . . 0.0 115.997 172.126 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.44 -35.43 19.69 Favored 'General case' 0 CA--C 1.601 2.914 1 C-N-CA 137.998 6.519 . . . . 0.0 106.786 -163.88 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 0.4 OUTLIER -63.7 -44.3 94.05 Favored 'General case' 0 CA--C 1.606 3.101 1 C-N-CA 135.864 5.666 . . . . 0.0 110.691 160.518 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -74.04 -22.07 59.7 Favored 'General case' 0 CA--C 1.598 2.791 1 C-N-CA 136.145 5.778 . . . . 0.0 110.561 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -76.95 21.25 0.22 Allowed 'General case' 0 CA--C 1.597 2.763 1 C-N-CA 135.553 5.541 . . . . 0.0 116.906 170.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 71.5 t -128.79 114.42 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.805 1 C-N-CA 135.876 5.671 . . . . 0.0 102.875 179.379 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.489 1.522 1 C-N-CA 135.542 5.537 . . . . 0.0 110.127 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.601 2.906 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.297 3.1 mmm-85 -85.48 152.88 22.86 Favored 'General case' 0 CA--C 1.599 2.859 1 C-N-CA 136.35 5.86 . . . . 0.0 108.939 156.69 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -96.13 86.68 4.33 Favored 'General case' 0 CA--C 1.607 3.138 1 C-N-CA 134.679 5.192 . . . . 0.0 114.712 -172.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -61.69 -138.94 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.916 1 C-N-CA 137.07 6.148 . . . . 0.0 107.605 -179.047 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -74.02 -54.36 8.04 Favored 'General case' 0 C--O 1.285 2.927 1 C-N-CA 135.859 5.664 . . . . 0.0 110.648 166.336 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.416 7.8 pt -125.13 122.16 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 1 C-N-CA 135.392 5.477 . . . . 0.0 106.868 -170.675 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -130.15 70.01 82.06 Favored Pre-proline 0 CA--C 1.581 2.17 1 C-N-CA 137.944 6.498 . . . . 0.0 115.988 177.522 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.286 11.9 Cg_exo -44.16 -18.57 0.18 Allowed 'Trans proline' 1 N--CA 1.558 5.272 2 N-CA-C 127.428 5.895 . . . . 0.0 127.428 175.612 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.73 -35.9 51.41 Favored 'General case' 0 CA--C 1.597 2.761 1 C-N-CA 136.277 5.831 . . . . 0.0 117.776 174.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 -45.01 52.6 Favored 'General case' 0 CA--C 1.597 2.772 1 C-N-CA 134.968 5.307 . . . . 0.0 113.939 -176.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.256 1.4 m0 -57.38 -39.63 76.47 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 135.695 5.598 . . . . 0.0 106.365 172.088 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.18 -43.59 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.922 1 C-N-CA 134.372 5.069 . . . . 0.0 102.628 -162.839 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.7 t60 -54.81 -67.89 0.23 Allowed 'General case' 0 CA--C 1.602 2.947 1 C-N-CA 135.525 5.53 . . . . 0.0 114.936 167.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.09 -16.29 0.09 Allowed 'General case' 0 CA--C 1.602 2.964 1 C-N-CA 133.788 4.835 . . . . 0.0 116.095 167.522 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.391 0.3 OUTLIER -82.83 -45.58 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.846 1 C-N-CA 136.152 5.781 . . . . 0.0 107.088 -175.945 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.273 . . -62.91 -45.03 94.41 Favored 'General case' 0 CA--C 1.6 2.869 1 C-N-CA 136.988 6.115 . . . . 0.0 116.328 164.279 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.79 -39.56 91.08 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 136.614 5.965 . . . . 0.0 108.453 174.664 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.312 0.1 OUTLIER -67.57 -31.14 70.99 Favored 'General case' 0 CA--C 1.604 3.02 1 C-N-CA 134.502 5.121 . . . . 0.0 111.394 163.783 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -43.75 53.15 Favored 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.754 5.621 . . . . 0.0 110.143 176.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -76.64 -85.21 0.06 Allowed 'General case' 0 CA--C 1.606 3.115 1 C-N-CA 134.83 5.252 . . . . 0.0 115.96 -159.825 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' N ' ' CG ' ' A' ' 20' ' ' GLU 0.275 4.4 t -132.75 -80.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.772 1 C-N-CA 136.162 5.785 . . . . 0.0 102.899 -166.335 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.552 1 C-N-CA 135.552 5.541 . . . . 0.0 110.139 -170.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.413 HG23 ' OH ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.6 2.886 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -85.84 99.32 11.3 Favored 'General case' 0 C--O 1.3 3.735 1 C-N-CA 135.766 5.626 . . . . 0.0 109.311 -159.62 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' OH ' HG23 ' A' ' 1' ' ' THR . 20.7 m-85 -103.25 46.34 0.92 Allowed 'General case' 0 CA--C 1.611 3.307 1 C-N-CA 134.882 5.273 . . . . 0.0 113.892 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' ' 6' ' ' ILE 0.251 0.0 OUTLIER -50.56 -153.61 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.013 1 C-N-CA 136.786 6.034 . . . . 0.0 107.227 169.056 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -67.08 -25.52 66.27 Favored 'General case' 0 C--O 1.285 2.931 1 C-N-CA 135.842 5.657 . . . . 0.0 110.752 -164.387 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' H ' HD13 ' A' ' 4' ' ' LEU 0.407 7.5 pt -135.06 123.02 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.831 1 C-N-CA 135.393 5.477 . . . . 0.0 106.868 175.932 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.24 62.6 30.52 Favored Pre-proline 0 CA--C 1.583 2.234 1 C-N-CA 138.373 6.669 . . . . 0.0 116.27 -175.706 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.285 18.2 Cg_endo -51.43 -19.94 7.75 Favored 'Trans proline' 1 N--CA 1.558 5.299 3 N-CA-C 127.668 5.988 . . . . 0.0 127.668 178.106 . . . . . . . . 4 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.16 -32.26 56.11 Favored 'General case' 0 C--O 1.289 3.183 1 C-N-CA 136.043 5.737 . . . . 0.0 118.215 171.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -78.1 -38.25 44.48 Favored 'General case' 0 CA--C 1.596 2.715 1 C-N-CA 134.784 5.234 . . . . 0.0 115.096 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 1.1 m0 -62.23 -37.75 86.59 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.302 5.041 . . . . 0.0 105.741 165.661 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 13' ' ' HIS 0.316 0.6 OUTLIER -60.08 -48.9 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 133.083 4.553 . . . . 0.0 101.929 -164.199 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.4 t60 -61.04 -48.96 79.34 Favored 'General case' 0 CA--C 1.598 2.804 1 C-N-CA 135.482 5.513 . . . . 0.0 115.207 176.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -22.84 62.1 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 135.022 5.329 . . . . 0.0 116.607 166.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.4 0.1 OUTLIER -80.58 -39.55 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.821 1 C-N-CA 135.991 5.716 . . . . 0.0 108.004 -177.053 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -69.46 -48.68 60.0 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.31 5.444 . . . . 0.0 115.735 162.332 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU 0.256 0.0 OUTLIER -66.0 -41.54 90.91 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.465 5.906 . . . . 0.0 107.512 -172.439 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.305 6.2 mtt180 -64.16 -40.16 95.54 Favored 'General case' 0 CA--C 1.604 3.04 1 C-N-CA 135.541 5.537 . . . . 0.0 110.709 166.583 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 mmm -70.99 -38.57 72.7 Favored 'General case' 0 CA--C 1.6 2.899 1 C-N-CA 134.518 5.127 . . . . 0.0 109.986 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.62 26.08 0.32 Allowed 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.411 5.484 . . . . 0.0 116.574 -160.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 23.5 t -68.44 -47.94 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.799 1 C-N-CA 135.583 5.553 . . . . 0.0 102.902 175.075 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.557 1 C-N-CA 135.96 5.704 . . . . 0.0 110.214 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.285 2.963 0 CA-C-O 116.859 -1.543 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -84.73 92.28 8.17 Favored 'General case' 0 C--O 1.291 3.249 1 C-N-CA 135.566 5.546 . . . . 0.0 109.176 -177.699 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -88.15 19.98 3.43 Favored 'General case' 0 CA--C 1.601 2.937 1 C-N-CA 136.532 5.933 . . . . 0.0 116.151 -156.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -179.61 0.01 OUTLIER 'General case' 0 CA--C 1.601 2.932 1 C-N-CA 135.272 5.429 . . . . 0.0 107.422 167.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.309 0.0 OUTLIER -56.13 -24.2 39.32 Favored 'General case' 0 C--O 1.287 3.04 1 C-N-CA 134.963 5.305 . . . . 0.0 110.418 -167.975 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.409 9.5 pt -151.98 119.14 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.601 2.912 1 C-N-CA 136.107 5.763 . . . . 0.0 106.198 -168.937 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -120.0 61.51 7.55 Favored Pre-proline 0 CA--C 1.581 2.152 1 C-N-CA 136.983 6.113 . . . . 0.0 116.402 -170.954 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.283 8.2 Cg_endo -49.59 -19.82 3.69 Favored 'Trans proline' 1 N--CA 1.557 5.225 3 N-CA-C 127.361 5.87 . . . . 0.0 127.361 174.611 . . . . . . . . 4 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.51 -39.99 94.82 Favored 'General case' 0 C--O 1.287 3.032 1 C-N-CA 136.867 6.067 . . . . 0.0 118.124 164.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -72.53 -40.53 66.7 Favored 'General case' 0 CA--C 1.596 2.721 1 C-N-CA 134.491 5.117 . . . . 0.0 113.803 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.265 0.5 OUTLIER -69.93 -38.77 76.31 Favored 'General case' 0 CA--C 1.596 2.718 1 C-N-CA 135.291 5.437 . . . . 0.0 106.174 170.016 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.295 0.8 OUTLIER -60.98 -44.58 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.895 1 C-N-CA 134.563 5.145 . . . . 0.0 102.199 -163.359 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.777 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 35.2 t60 -57.35 -61.83 2.2 Favored 'General case' 0 CA--C 1.604 3.023 1 C-N-CA 134.952 5.301 . . . . 0.0 114.446 172.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.8 tp-100 -47.31 -21.37 0.28 Allowed 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 136.271 5.829 . . . . 0.0 116.519 163.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.392 0.5 OUTLIER -85.54 -42.44 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.919 1 C-N-CA 136.518 5.927 . . . . 0.0 108.358 -175.715 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.27 . . -59.41 -44.43 92.85 Favored 'General case' 0 CA--C 1.601 2.907 1 C-N-CA 136.388 5.875 . . . . 0.0 116.125 160.677 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -65.84 -35.8 81.69 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.72 6.008 . . . . 0.0 108.8 171.711 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.323 3.4 tpt180 -67.18 -38.8 86.02 Favored 'General case' 0 CA--C 1.604 3.031 1 C-N-CA 134.266 5.026 . . . . 0.0 111.167 164.464 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.79 62.86 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 135.731 5.612 . . . . 0.0 110.906 -174.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -68.96 24.8 0.03 OUTLIER 'General case' 0 CA--C 1.598 2.81 1 C-N-CA 135.656 5.582 . . . . 0.0 117.176 -167.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.272 39.6 t -64.06 -71.14 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.781 1 C-N-CA 136.233 5.813 . . . . 0.0 102.834 158.673 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.489 1.476 1 C-N-CA 135.87 5.668 . . . . 0.0 109.894 -158.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.599 2.838 0 CA-C-O 117.755 -1.117 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.413 0.7 OUTLIER -86.4 52.67 2.56 Favored 'General case' 0 CA--C 1.618 3.569 1 C-N-CA 134.699 5.2 . . . . 0.0 112.494 -159.152 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -117.34 49.8 1.17 Allowed 'General case' 0 CA--C 1.6 2.887 1 C-N-CA 135.156 5.382 . . . . 0.0 114.138 -160.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -165.46 0.0 OUTLIER 'General case' 0 CA--C 1.597 2.784 1 C-N-CA 135.651 5.58 . . . . 0.0 107.615 -178.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -60.55 -24.85 65.73 Favored 'General case' 0 C--O 1.286 3.006 1 C-N-CA 134.23 5.012 . . . . 0.0 109.763 161.565 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.392 1.2 pt -146.51 125.68 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.92 1 C-N-CA 135.262 5.425 . . . . 0.0 106.724 -172.949 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.16 55.59 9.91 Favored Pre-proline 0 CA--C 1.588 2.436 1 C-N-CA 138.62 6.768 . . . . 0.0 115.799 -171.555 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.586 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.275 19.7 Cg_endo -49.05 -26.59 10.68 Favored 'Trans proline' 1 N--CA 1.555 5.131 2 N-CA-C 127.572 5.951 . . . . 0.0 127.572 175.287 . . . . . . . . 5 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -67.22 -35.12 78.92 Favored 'General case' 0 CA--C 1.597 2.757 1 C-N-CA 135.762 5.625 . . . . 0.0 117.299 169.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -37.78 51.77 Favored 'General case' 0 CA--C 1.595 2.694 1 C-N-CA 135.122 5.369 . . . . 0.0 114.582 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.6 OUTLIER -68.01 -39.03 83.25 Favored 'General case' 0 CA--C 1.596 2.726 1 C-N-CA 134.581 5.152 . . . . 0.0 105.616 164.127 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER -60.52 -47.29 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.914 1 C-N-CA 133.654 4.782 . . . . 0.0 102.277 -162.568 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.58 -52.48 57.37 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 135.636 5.574 . . . . 0.0 115.49 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -59.67 -17.91 37.82 Favored 'General case' 0 CA--C 1.6 2.875 1 C-N-CA 134.612 5.165 . . . . 0.0 116.627 165.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.399 0.2 OUTLIER -82.99 -53.67 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.839 1 C-N-CA 136.257 5.823 . . . . 0.0 108.23 -179.82 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.277 . . -61.74 -45.31 94.46 Favored 'General case' 0 CA--C 1.599 2.851 1 C-N-CA 135.986 5.715 . . . . 0.0 115.558 168.535 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.58 -39.18 88.33 Favored 'General case' 0 CA--C 1.597 2.765 1 C-N-CA 136.635 5.974 . . . . 0.0 107.699 -173.793 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 2.8 ttt85 -65.98 -35.79 81.54 Favored 'General case' 0 CA--C 1.604 3.025 1 C-N-CA 135.117 5.367 . . . . 0.0 111.156 162.437 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -36.31 61.65 Favored 'General case' 0 C--O 1.284 2.871 1 C-N-CA 135.757 5.623 . . . . 0.0 111.364 -178.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.48 4.09 0.01 OUTLIER 'General case' 0 CA--C 1.599 2.839 1 C-N-CA 135.797 5.639 . . . . 0.0 116.9 -157.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 58.9 t -99.96 104.52 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.783 1 C-N-CA 135.129 5.372 . . . . 0.0 102.819 160.677 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.493 1 C-N-CA 136.018 5.727 . . . . 0.0 110.167 174.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.794 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.334 0.0 OUTLIER -85.92 108.58 18.24 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.028 5.331 . . . . 0.0 108.944 -161.015 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.57 96.98 6.63 Favored 'General case' 0 CA--C 1.6 2.889 1 C-N-CA 136.208 5.803 . . . . 0.0 113.318 159.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -53.79 -172.52 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 1 C-N-CA 134.979 5.312 . . . . 0.0 107.295 169.417 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.687 ' N ' HD13 ' A' ' 4' ' ' LEU 0.328 0.0 OUTLIER -52.79 -31.5 38.86 Favored 'General case' 0 CA--C 1.601 2.913 1 C-N-CA 134.113 4.965 . . . . 0.0 109.49 -159.934 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' H ' HD13 ' A' ' 4' ' ' LEU 0.384 13.1 pt -164.88 116.27 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.6 2.88 1 C-N-CA 136.482 5.913 . . . . 0.0 106.524 -166.93 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 61.42 0.4 Allowed Pre-proline 0 CA--C 1.585 2.289 1 C-N-CA 137.557 6.343 . . . . 0.0 115.977 -175.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.28 13.5 Cg_endo -50.26 -16.11 1.76 Allowed 'Trans proline' 1 N--CA 1.557 5.243 3 N-CA-C 127.58 5.954 . . . . 0.0 127.58 174.981 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -72.27 -39.27 68.49 Favored 'General case' 0 C--O 1.284 2.901 1 C-N-CA 136.475 5.91 . . . . 0.0 117.501 168.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -74.2 -42.21 60.19 Favored 'General case' 0 CA--C 1.596 2.722 1 C-N-CA 134.523 5.129 . . . . 0.0 114.202 -176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.275 0.7 OUTLIER -65.24 -37.47 87.35 Favored 'General case' 0 CA--C 1.595 2.699 1 C-N-CA 134.901 5.281 . . . . 0.0 106.764 172.379 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 13' ' ' HIS 0.293 0.8 OUTLIER -60.62 -49.25 85.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.964 1 C-N-CA 134.714 5.205 . . . . 0.0 102.134 -164.355 . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' N ' HG12 ' A' ' 12' ' ' VAL . 62.0 t60 -62.4 -52.42 63.63 Favored 'General case' 0 CA--C 1.598 2.805 1 C-N-CA 135.75 5.62 . . . . 0.0 115.316 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.56 -18.57 53.29 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.167 5.387 . . . . 0.0 117.035 165.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.395 0.2 OUTLIER -82.68 -50.18 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 1 C-N-CA 136.131 5.772 . . . . 0.0 108.09 -179.547 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.24 -47.45 82.38 Favored 'General case' 0 CA--C 1.599 2.843 1 C-N-CA 135.809 5.644 . . . . 0.0 115.778 166.397 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -44.35 81.13 Favored 'General case' 0 CA--C 1.597 2.77 1 C-N-CA 136.628 5.971 . . . . 0.0 107.721 -173.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -63.92 -35.86 82.05 Favored 'General case' 0 CA--C 1.604 3.049 1 C-N-CA 135.687 5.595 . . . . 0.0 110.79 169.318 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -38.31 78.51 Favored 'General case' 0 CA--C 1.597 2.788 1 C-N-CA 135.161 5.384 . . . . 0.0 110.146 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -79.78 19.51 0.67 Allowed 'General case' 0 CA--C 1.597 2.768 1 C-N-CA 135.398 5.479 . . . . 0.0 116.917 -174.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 22.3 t -58.34 -30.91 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.816 1 C-N-CA 135.512 5.525 . . . . 0.0 102.93 -174.01 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 1 C-N-CA 135.992 5.717 . . . . 0.0 110.068 159.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 4' ' ' LEU . 1.6 t . . . . . 0 CA--C 1.598 2.797 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.4 16.1 mtt180 -58.27 -90.32 0.0 OUTLIER 'General case' 0 CA--C 1.627 3.928 1 C-N-CA 134.734 5.214 . . . . 0.0 107.775 161.134 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -81.88 88.12 6.36 Favored 'General case' 0 CA--C 1.596 2.728 1 C-N-CA 136.887 6.075 . . . . 0.0 112.187 170.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 1' ' ' THR 0.268 1.2 pp -65.36 -134.92 0.0 OUTLIER 'General case' 0 CA--C 1.603 3.01 1 C-N-CA 137.257 6.223 . . . . 0.0 107.506 178.307 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER -69.45 -41.13 76.67 Favored 'General case' 0 C--O 1.285 2.933 1 C-N-CA 135.609 5.563 . . . . 0.0 110.466 159.475 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' C ' ' ND1' ' A' ' 7' ' ' HIS 0.409 13.8 pt -143.96 123.77 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.884 1 C-N-CA 135.277 5.431 . . . . 0.0 107.484 -159.104 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.463 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -124.85 68.91 55.73 Favored Pre-proline 0 C--O 1.272 2.24 1 C-N-CA 137.285 6.234 . . . . 0.0 117.895 177.497 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . 0.286 17.0 Cg_exo -47.19 -26.18 5.18 Favored 'Trans proline' 1 N--CA 1.56 5.396 1 N-CA-C 127.395 5.883 . . . . 0.0 127.395 174.32 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -79.11 -25.59 42.98 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 135.329 5.452 . . . . 0.0 116.965 173.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -76.42 -52.7 9.35 Favored 'General case' 0 CA--C 1.598 2.818 1 C-N-CA 134.638 5.175 . . . . 0.0 114.167 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.267 1.3 m0 -54.84 -36.74 65.36 Favored 'General case' 0 CA--C 1.596 2.746 1 C-N-CA 135.566 5.546 . . . . 0.0 105.863 170.133 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.296 0.8 OUTLIER -61.34 -46.34 96.81 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.958 1 C-N-CA 134.578 5.151 . . . . 0.0 102.342 -163.138 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.768 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 10.4 t60 -53.62 -68.7 0.16 Allowed 'General case' 0 CA--C 1.601 2.925 1 C-N-CA 135.252 5.421 . . . . 0.0 114.534 168.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . 23.4 tp60 -50.72 -12.55 0.11 Allowed 'General case' 0 CA--C 1.599 2.857 1 C-N-CA 135.157 5.383 . . . . 0.0 116.514 168.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.388 0.3 OUTLIER -85.39 -45.27 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.813 1 C-N-CA 137.096 6.158 . . . . 0.0 108.03 -178.494 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 13' ' ' HIS 0.265 . . -58.48 -51.82 68.24 Favored 'General case' 0 CA--C 1.599 2.852 1 C-N-CA 136.507 5.923 . . . . 0.0 116.04 159.264 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -66.23 -33.0 74.76 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 136.778 6.031 . . . . 0.0 108.303 176.741 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.302 2.8 mtp180 -65.28 -37.97 88.83 Favored 'General case' 0 CA--C 1.603 3.019 1 C-N-CA 135.376 5.47 . . . . 0.0 111.148 163.189 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -43.76 55.2 Favored 'General case' 0 CA--C 1.599 2.86 1 C-N-CA 135.315 5.446 . . . . 0.0 109.848 -174.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.84 -18.32 12.55 Favored 'General case' 0 CA--C 1.598 2.799 1 C-N-CA 135.651 5.58 . . . . 0.0 116.993 -162.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.273 90.1 t -104.01 83.89 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.74 1 C-N-CA 135.422 5.489 . . . . 0.0 102.813 -166.925 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.504 1 C-N-CA 135.751 5.62 . . . . 0.0 110.145 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.598 2.814 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.308 0.0 OUTLIER -84.33 107.73 16.77 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 135.147 5.379 . . . . 0.0 109.256 -163.253 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -111.05 28.89 8.29 Favored 'General case' 0 CA--C 1.603 2.987 1 C-N-CA 135.528 5.531 . . . . 0.0 115.93 171.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -162.48 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.921 1 C-N-CA 135.73 5.612 . . . . 0.0 107.867 164.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 2.4 tpt180 -55.97 -33.81 65.14 Favored 'General case' 0 CA--C 1.598 2.82 1 C-N-CA 136.191 5.797 . . . . 0.0 109.745 -159.368 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD12 ' HD3' ' A' ' 8' ' ' PRO 0.402 1.2 pt -134.38 124.97 46.54 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.889 1 C-N-CA 135.184 5.394 . . . . 0.0 106.81 -177.661 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 56.64 4.13 Favored Pre-proline 0 CA--C 1.587 2.385 1 C-N-CA 137.995 6.518 . . . . 0.0 117.095 -173.008 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.613 ' HD3' HD12 ' A' ' 6' ' ' ILE 0.278 21.4 Cg_endo -50.23 -18.42 3.4 Favored 'Trans proline' 1 N--CA 1.555 5.146 3 N-CA-C 127.46 5.908 . . . . 0.0 127.46 174.378 . . . . . . . . 5 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.82 -38.66 73.26 Favored 'General case' 0 C--O 1.286 3.003 1 C-N-CA 135.774 5.63 . . . . 0.0 117.46 166.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -72.76 -44.62 61.38 Favored 'General case' 0 CA--C 1.596 2.735 1 C-N-CA 134.641 5.176 . . . . 0.0 113.698 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . 0.277 0.8 OUTLIER -64.42 -36.89 85.65 Favored 'General case' 0 CA--C 1.595 2.708 1 C-N-CA 135.157 5.383 . . . . 0.0 106.592 173.407 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 13' ' ' HIS 0.294 0.8 OUTLIER -60.16 -47.64 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.953 1 C-N-CA 134.846 5.258 . . . . 0.0 102.109 -165.168 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.402 ' N ' HG12 ' A' ' 12' ' ' VAL . 61.3 t60 -62.89 -48.5 78.72 Favored 'General case' 0 CA--C 1.597 2.781 1 C-N-CA 135.867 5.667 . . . . 0.0 115.659 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -23.22 64.59 Favored 'General case' 0 CA--C 1.598 2.807 1 C-N-CA 134.639 5.175 . . . . 0.0 116.844 164.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.396 0.3 OUTLIER -80.41 -47.8 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.785 1 C-N-CA 136.088 5.755 . . . . 0.0 107.56 -177.941 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.269 . . -70.14 -42.75 72.14 Favored 'General case' 0 CA--C 1.599 2.856 1 C-N-CA 135.706 5.602 . . . . 0.0 115.714 169.805 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.8 -40.73 88.2 Favored 'General case' 0 CA--C 1.598 2.789 1 C-N-CA 136.676 5.991 . . . . 0.0 107.436 -176.743 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.298 0.0 OUTLIER -64.03 -38.91 92.79 Favored 'General case' 0 CA--C 1.604 3.041 1 C-N-CA 136.155 5.782 . . . . 0.0 110.803 167.278 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -21.64 59.84 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 135.431 5.492 . . . . 0.0 110.285 -177.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -77.29 25.11 0.17 Allowed 'General case' 0 CA--C 1.597 2.764 1 C-N-CA 135.438 5.495 . . . . 0.0 117.053 165.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 11.4 t -136.21 99.22 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 C-N-CA 135.941 5.696 . . . . 0.0 102.795 178.063 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.49 1.532 1 C-N-CA 135.558 5.543 . . . . 0.0 110.192 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.596 2.742 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER -82.74 141.0 32.73 Favored 'General case' 0 CA--C 1.599 2.835 1 C-N-CA 136.405 5.882 . . . . 0.0 108.442 156.683 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.9 m-85 -108.74 90.79 3.4 Favored 'General case' 0 CA--C 1.595 2.703 1 C-N-CA 136.511 5.924 . . . . 0.0 114.28 -149.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -65.82 176.97 1.4 Allowed 'General case' 0 CA--C 1.598 2.801 1 C-N-CA 135.067 5.347 . . . . 0.0 107.391 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.304 0.2 OUTLIER -53.06 -24.57 10.2 Favored 'General case' 0 C--O 1.286 3.012 1 C-N-CA 135.039 5.336 . . . . 0.0 110.411 -177.118 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.386 3.4 pt -155.88 108.44 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.886 1 C-N-CA 135.621 5.568 . . . . 0.0 106.427 -167.737 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.17 65.76 0.42 Allowed Pre-proline 0 CA--C 1.582 2.204 1 C-N-CA 135.611 5.565 . . . . 0.0 116.518 178.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.535 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.28 10.7 Cg_endo -50.15 -27.69 17.9 Favored 'Trans proline' 1 N--CA 1.558 5.277 3 N-CA-C 126.848 5.672 . . . . 0.0 126.848 174.047 . . . . . . . . 5 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -67.93 -33.42 74.64 Favored 'General case' 0 C--O 1.288 3.107 1 C-N-CA 133.696 4.798 . . . . 0.0 116.822 170.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -73.97 -41.26 62.21 Favored 'General case' 0 CA--C 1.596 2.744 1 C-N-CA 134.158 4.983 . . . . 0.0 114.27 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.535 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.275 0.6 OUTLIER -65.16 -36.9 85.67 Favored 'General case' 0 CA--C 1.596 2.733 1 C-N-CA 134.914 5.285 . . . . 0.0 106.421 171.655 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 13' ' ' HIS 0.295 0.8 OUTLIER -60.07 -48.12 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.96 1 C-N-CA 134.729 5.212 . . . . 0.0 102.201 -164.653 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' N ' HG12 ' A' ' 12' ' ' VAL . 72.4 t60 -63.71 -46.73 84.11 Favored 'General case' 0 CA--C 1.597 2.758 1 C-N-CA 136.097 5.759 . . . . 0.0 115.59 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -25.46 65.63 Favored 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 134.574 5.15 . . . . 0.0 116.986 162.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.397 0.4 OUTLIER -81.3 -50.18 17.03 Favored 'Isoleucine or valine' 0 C--O 1.283 2.861 1 C-N-CA 135.979 5.712 . . . . 0.0 107.89 -178.94 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.27 . . -60.29 -47.55 85.53 Favored 'General case' 0 CA--C 1.599 2.827 1 C-N-CA 135.667 5.587 . . . . 0.0 115.636 165.615 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.31 -40.7 86.01 Favored 'General case' 0 CA--C 1.599 2.848 1 C-N-CA 136.883 6.073 . . . . 0.0 107.4 -171.065 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.296 0.1 OUTLIER -63.93 -38.8 92.41 Favored 'General case' 0 CA--C 1.604 3.053 1 C-N-CA 135.975 5.71 . . . . 0.0 110.966 162.96 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -34.53 64.68 Favored 'General case' 0 C--O 1.287 3.044 1 C-N-CA 135.044 5.338 . . . . 0.0 110.344 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -54.86 -2.39 0.03 OUTLIER 'General case' 0 CA--C 1.6 2.867 1 C-N-CA 135.67 5.588 . . . . 0.0 116.8 -165.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 91.9 t -107.97 117.77 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 1 C-N-CA 135.513 5.525 . . . . 0.0 102.912 164.334 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.531 1 C-N-CA 135.648 5.579 . . . . 0.0 110.158 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.599 2.839 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.449 ' CD ' ' H ' ' A' ' 2' ' ' ARG 0.338 0.0 OUTLIER -89.75 100.48 13.28 Favored 'General case' 0 CA--C 1.609 3.244 1 C-N-CA 135.494 5.517 . . . . 0.0 109.426 -158.914 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 1.5 m-85 -114.97 99.96 7.85 Favored 'General case' 0 CA--C 1.602 2.961 1 C-N-CA 136.165 5.786 . . . . 0.0 113.339 163.03 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.79 -152.36 0.01 OUTLIER 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.728 5.211 . . . . 0.0 107.21 171.776 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.3 7.7 tpt180 -58.51 -45.24 89.21 Favored 'General case' 0 CA--C 1.598 2.794 1 C-N-CA 135.029 5.332 . . . . 0.0 109.72 165.83 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.38 3.1 pt -135.65 108.05 8.22 Favored 'Isoleucine or valine' 0 C--O 1.285 2.944 1 C-N-CA 136.862 6.065 . . . . 0.0 106.834 -159.937 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.7 65.38 0.12 Allowed Pre-proline 0 CA--C 1.583 2.244 1 C-N-CA 135.933 5.693 . . . . 0.0 116.521 178.727 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.274 12.7 Cg_endo -52.8 -27.48 34.55 Favored 'Trans proline' 1 N--CA 1.556 5.15 3 N-CA-C 127.724 6.009 . . . . 0.0 127.724 174.252 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -63.58 -37.84 88.85 Favored 'General case' 0 C--O 1.283 2.833 1 C-N-CA 136.284 5.834 . . . . 0.0 117.434 168.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -74.81 -37.94 62.2 Favored 'General case' 0 CA--C 1.597 2.76 1 C-N-CA 134.673 5.189 . . . . 0.0 114.075 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.269 0.5 OUTLIER -69.38 -38.73 78.16 Favored 'General case' 0 CA--C 1.596 2.743 1 C-N-CA 134.825 5.25 . . . . 0.0 106.162 169.825 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.83 -48.3 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.93 1 C-N-CA 134.755 5.222 . . . . 0.0 102.259 -163.237 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -63.21 -48.36 78.66 Favored 'General case' 0 CA--C 1.597 2.786 1 C-N-CA 135.957 5.703 . . . . 0.0 115.499 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -29.67 59.71 Favored 'General case' 0 CA--C 1.6 2.866 1 C-N-CA 134.339 5.056 . . . . 0.0 116.82 161.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.394 0.5 OUTLIER -82.36 -48.03 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.859 1 C-N-CA 136.014 5.726 . . . . 0.0 108.346 -175.405 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.275 . . -61.5 -46.68 88.99 Favored 'General case' 0 CA--C 1.599 2.846 1 C-N-CA 135.87 5.668 . . . . 0.0 115.645 164.875 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -51.8 42.71 Favored 'General case' 0 CA--C 1.597 2.766 1 C-N-CA 136.795 6.038 . . . . 0.0 107.58 -172.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.306 3.6 ttm180 -67.17 -18.79 65.42 Favored 'General case' 0 CA--C 1.602 2.97 1 C-N-CA 135.595 5.558 . . . . 0.0 111.282 166.129 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -59.38 2.75 Favored 'General case' 0 CA--C 1.598 2.806 1 C-N-CA 135.612 5.565 . . . . 0.0 110.374 171.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.47 -10.17 4.62 Favored 'General case' 0 CA--C 1.598 2.793 1 C-N-CA 135.462 5.505 . . . . 0.0 117.268 -159.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.274 61.9 t -139.97 96.45 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.789 1 C-N-CA 135.557 5.543 . . . . 0.0 102.828 -170.044 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 N--CA 1.49 1.551 1 C-N-CA 136.037 5.735 . . . . 0.0 110.127 -178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.281 2.75 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.298 6.1 mmt-85 -87.97 143.96 26.81 Favored 'General case' 0 C--O 1.29 3.226 1 C-N-CA 136.047 5.739 . . . . 0.0 108.226 155.741 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . 1.7 m-30 -97.05 93.54 6.64 Favored 'General case' 0 CA--C 1.601 2.919 1 C-N-CA 136.057 5.743 . . . . 0.0 113.793 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -173.07 0.25 Allowed 'General case' 0 CA--C 1.597 2.787 1 C-N-CA 135.906 5.683 . . . . 0.0 107.767 172.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -53.61 -24.76 14.93 Favored 'General case' 0 CA--C 1.597 2.779 1 C-N-CA 135.325 5.45 . . . . 0.0 109.961 -173.293 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.387 2.8 pt -139.25 106.82 2.97 Favored 'Isoleucine or valine' 0 C--O 1.285 2.932 1 C-N-CA 135.696 5.598 . . . . 0.0 106.705 177.694 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -102.17 64.93 0.06 OUTLIER Pre-proline 0 CA--C 1.582 2.2 1 C-N-CA 135.996 5.718 . . . . 0.0 116.582 177.787 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' CE2' ' A' ' 11' ' ' TRP 0.273 18.1 Cg_endo -52.14 -31.7 46.49 Favored 'Trans proline' 1 N--CA 1.558 5.308 3 N-CA-C 127.326 5.856 . . . . 0.0 127.326 174.273 . . . . . . . . 5 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -65.41 -34.68 78.86 Favored 'General case' 0 CA--C 1.6 2.902 1 C-N-CA 134.157 4.983 . . . . 0.0 116.389 171.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -74.67 -39.69 61.86 Favored 'General case' 0 CA--C 1.596 2.742 1 C-N-CA 134.45 5.1 . . . . 0.0 113.893 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.424 ' CE2' ' HA ' ' A' ' 8' ' ' PRO 0.27 0.5 OUTLIER -68.14 -38.41 82.14 Favored 'General case' 0 CA--C 1.596 2.713 1 C-N-CA 134.838 5.255 . . . . 0.0 106.219 171.05 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.291 0.8 OUTLIER -60.88 -46.86 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.984 1 C-N-CA 135.033 5.333 . . . . 0.0 102.249 -164.191 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.55 -42.68 95.53 Favored 'General case' 0 CA--C 1.597 2.752 1 C-N-CA 136.344 5.857 . . . . 0.0 115.777 177.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.71 -25.28 67.32 Favored 'General case' 0 CA--C 1.598 2.823 1 C-N-CA 134.884 5.274 . . . . 0.0 116.7 162.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . 0.402 0.4 OUTLIER -83.94 -53.28 11.5 Favored 'Isoleucine or valine' 0 C--O 1.285 2.922 1 C-N-CA 135.567 5.547 . . . . 0.0 108.114 -178.863 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.274 . . -59.08 -46.86 87.21 Favored 'General case' 0 CA--C 1.598 2.819 1 C-N-CA 135.543 5.537 . . . . 0.0 115.628 166.517 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -47.03 71.88 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 136.764 6.026 . . . . 0.0 107.981 -172.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.303 0.1 OUTLIER -65.43 -29.54 70.24 Favored 'General case' 0 CA--C 1.603 3.0 1 C-N-CA 135.66 5.584 . . . . 0.0 111.111 169.782 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -55.76 5.67 Favored 'General case' 0 CA--C 1.598 2.814 1 C-N-CA 135.679 5.592 . . . . 0.0 110.677 178.115 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.67 -10.39 58.08 Favored 'General case' 0 CA--C 1.597 2.783 1 C-N-CA 135.732 5.613 . . . . 0.0 117.154 -158.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' ' OXT' ' A' ' 22' ' ' LEU 0.271 88.4 t -113.12 109.42 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 135.407 5.483 . . . . 0.0 102.831 -159.75 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.515 1 C-N-CA 135.672 5.589 . . . . 0.0 110.313 169.407 . . . . . . . . 3 3 . 1 stop_ save_