data_1nau_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 1nau _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.227 -0.092 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 N--CA 1.46 0.067 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.385 0.136 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.571 0.224 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.227 -0.11 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -77.31 -53.51 7.61 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.014 0.926 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.76 -168.99 54.0 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.901 0.762 . . . . 0.0 112.347 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.3 p -137.48 103.49 5.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.2 1.4 . . . . 0.0 109.635 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.265 3.9 t 41.92 -109.24 0.11 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.734 2.014 . . . . 0.0 113.224 175.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -49.77 -34.84 20.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.601 1.561 . . . . 0.0 112.685 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.06 -53.85 52.09 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.091 0.556 . . . . 0.0 109.886 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -70.89 -26.47 63.25 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -50.39 -33.92 22.37 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.105 0.962 . . . . 0.0 111.578 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -63.26 -50.59 69.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.191 0.996 . . . . 0.0 110.765 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -88.63 24.51 1.96 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.635 0.774 . . . . 0.0 111.976 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.4 -13.31 8.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.781 2.032 . . . . 0.0 108.616 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.79 -115.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.972 1.309 . . . . 0.0 110.588 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -96.68 -114.11 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.541 1.137 . . . . 0.0 111.646 -171.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -43.24 -52.78 5.49 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.542 1.937 . . . . 0.0 113.058 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 -62.33 -35.69 79.88 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.828 0.851 . . . . 0.0 111.43 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.695 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.87 -39.47 76.32 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.54 64.51 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.097 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -46.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.313 1.045 . . . . 0.0 110.597 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.79 73.23 2.31 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -149.91 -149.29 0.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.29 1.036 . . . . 0.0 108.736 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 p -120.51 -48.69 2.28 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.026 1.731 . . . . 0.0 109.185 176.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -56.2 -63.51 1.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.176 1.39 . . . . 0.0 111.051 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -90.37 58.48 4.03 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 124.821 1.248 . . . . 0.0 108.612 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -160.07 -69.18 0.07 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -55.37 -16.82 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.234 1.414 . . . . 0.0 113.779 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -70.06 -30.76 68.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.869 1.267 . . . . 0.0 110.965 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -120.61 -27.84 5.04 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.099 1.76 . . . . 0.0 112.611 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -35.2 -47.8 0.41 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.866 2.466 . . . . 0.0 114.941 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.28 133.82 19.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.956 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -88.2 71.54 9.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.808 0.814 . . . . 0.0 110.357 -171.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -171.73 -49.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.895 1.678 . . . . 0.0 107.109 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -71.93 -52.07 18.99 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.291 0.237 . . . . 0.0 111.164 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.29 96.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.377 0.671 . . . . 0.0 110.135 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.92 -43.01 99.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.116 1.367 . . . . 0.0 110.715 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.78 64.25 6.4 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 O-C-N 122.136 -0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 155.49 27.35 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.567 1.147 . . . . 0.0 109.989 177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.33 5.41 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -70.86 167.86 18.06 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.264 0.626 . . . . 0.0 109.593 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -55.13 -50.74 68.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.371 0.268 . . . . 0.0 110.691 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -57.82 -43.86 86.03 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.102 0.961 . . . . 0.0 111.182 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -62.31 -58.92 5.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.925 0.49 . . . . 0.0 110.821 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.72 -28.06 68.13 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.174 -0.917 . . . . 0.0 113.232 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 m -48.97 -33.88 11.87 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.736 0.698 . . . . 0.0 111.682 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.48 -55.65 16.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.963 0.505 . . . . 0.0 110.377 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -87.88 27.07 1.21 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.239 0.616 . . . . 0.0 112.212 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -120.37 -34.55 3.62 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 127.146 2.178 . . . . 0.0 107.234 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.95 158.48 16.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.314 1.046 . . . . 0.0 110.319 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -88.3 88.02 7.49 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.103 0.954 . . . . 0.0 111.309 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -179.47 -55.73 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -77.26 -48.14 18.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.052 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.81 70.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.359 0.412 . . . . 0.0 110.543 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -71.49 -41.35 69.4 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.068 0.395 . . . . 0.0 110.476 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -69.9 -43.08 72.48 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 122.077 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.87 -39.96 69.28 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.095 0.958 . . . . 0.0 110.906 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.82 49.71 7.58 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p -137.7 -167.47 2.14 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.062 1.745 . . . . 0.0 108.755 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -44.66 -49.18 10.51 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.908 1.683 . . . . 0.0 112.123 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -47.94 -42.08 26.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.347 1.059 . . . . 0.0 112.092 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -82.63 -63.85 1.29 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.264 1.026 . . . . 0.0 110.335 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -171.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -52.9 -28.14 21.91 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.014 0.825 . . . . 0.0 112.164 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -68.01 -62.45 1.4 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -86.69 47.51 1.5 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 122.046 0.927 . . . . 0.0 110.365 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.61 -47.0 0.75 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.556 2.342 . . . . 0.0 106.821 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -37.88 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 129.053 2.941 . . . . 0.0 115.256 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -140.73 -114.93 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.157 0.983 . . . . 0.0 111.156 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -58.77 4.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.912 1.285 . . . . 0.0 111.212 -173.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -54.64 -31.95 58.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.775 0.83 . . . . 0.0 111.911 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.55 65.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.169 0.588 . . . . 0.0 110.901 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -63.3 -42.8 99.08 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.149 0.431 . . . . 0.0 110.6 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t -163.37 -44.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.01 0 O-C-N 122.083 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 56.09 55.24 7.01 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 110.011 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.04 -72.34 2.29 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 m -135.54 132.96 37.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.06 1.344 . . . . 0.0 108.032 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.6 p -53.49 -42.87 67.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.079 0.952 . . . . 0.0 112.106 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -44.54 -35.73 2.66 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.393 1.877 . . . . 0.0 113.27 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.38 -63.97 1.05 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.628 0.771 . . . . 0.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -66.36 -33.71 76.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.748 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.5 m -50.08 -28.65 7.49 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.327 1.051 . . . . 0.0 112.929 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -68.4 -63.22 1.1 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -85.07 42.08 0.91 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.6 -29.54 2.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.316 2.646 . . . . 0.0 107.703 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.66 -138.87 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.796 2.038 . . . . 0.0 110.596 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.5 p -94.3 -101.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.116 0.871 . . . . 0.0 111.48 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -46.56 -62.81 1.2 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.657 1.583 . . . . 0.0 111.977 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -25.24 66.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -172.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.87 66.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.316 0.507 . . . . 0.0 110.187 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 117.918 0.326 . . . . 0.0 110.276 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p -71.17 -53.99 12.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.059 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 77.97 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.701 1.201 . . . . 0.0 109.077 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.39 32.17 0.82 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.781 1.182 . . . . 0.0 114.954 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -142.38 17.5 2.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.407 1.883 . . . . 0.0 108.982 171.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -147.14 -61.37 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.118 1.367 . . . . 0.0 108.28 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -66.65 -53.86 29.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -90.13 60.31 4.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -164.99 -60.11 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.633 0.373 . . . . 0.0 111.151 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -52.84 -25.73 12.42 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.744 1.617 . . . . 0.0 114.798 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -46.31 77.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.503 0.721 . . . . 0.0 112.244 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -106.26 23.98 13.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 125.494 1.518 . . . . 0.0 111.057 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.22 67.28 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.34 -130.23 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.764 0.825 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.8 m -103.46 -54.68 2.54 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.492 1.117 . . . . 0.0 112.371 -171.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -66.55 0.91 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -175.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.98 -50.43 19.09 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 125.837 1.655 . . . . 0.0 115.157 -171.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.21 65.75 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.362 0.665 . . . . 0.0 110.596 -172.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -63.46 -39.41 94.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.337 1.055 . . . . 0.0 110.54 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p -69.24 -52.63 25.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.072 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.46 160.17 28.06 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.004 0.922 . . . . 0.0 112.196 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.08 41.37 2.41 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.12 0.867 . . . . 0.0 112.589 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -162.33 36.77 0.11 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.837 1.655 . . . . 0.0 108.921 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -143.52 -70.23 0.32 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -67.53 -27.05 66.64 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.748 0.819 . . . . 0.0 111.142 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.1 -43.51 13.02 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.807 1.243 . . . . 0.0 108.77 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -53.45 -34.83 59.41 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.004 . . . . 0.0 111.861 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -48.51 -28.37 3.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 113.167 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -72.24 -61.08 1.92 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -86.54 54.19 3.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.664 1.221 . . . . 0.0 109.501 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -134.44 -15.0 2.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.495 2.718 . . . . 0.0 109.006 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.93 -123.06 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.761 1.624 . . . . 0.0 110.798 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -120.51 -86.54 0.65 Allowed 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.308 1.043 . . . . 0.0 110.653 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -58.09 -62.91 1.48 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.479 0.581 . . . . 0.0 109.554 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -55.97 -29.75 60.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.506 0.723 . . . . 0.0 112.879 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.51 -54.5 10.34 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.713 0.688 . . . . 0.0 110.121 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.68 -47.19 86.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.939 0.896 . . . . 0.0 110.424 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -70.47 -43.49 69.67 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.042 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 111.175 0.065 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -89.31 55.21 3.19 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.9 42.19 98.45 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -172.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.8 p -100.63 -95.48 0.26 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.537 1.135 . . . . 0.0 108.988 -174.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -55.21 -41.45 72.05 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.089 1.355 . . . . 0.0 110.332 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -47.1 -33.98 5.54 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.131 1.372 . . . . 0.0 112.167 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.58 -73.27 0.52 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.846 0.858 . . . . 0.0 110.394 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -67.25 -48.63 67.18 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -58.51 -29.42 66.26 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.45 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.026 0.53 . . . . 0.0 111.046 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -80.85 7.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 tp -105.81 -15.2 15.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.56 1.944 . . . . 0.0 109.794 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.45 -118.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.354 1.062 . . . . 0.0 111.493 -175.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.5 p -100.73 -108.09 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.133 0.973 . . . . 0.0 111.834 -171.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -41.22 -55.06 2.78 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.093 2.157 . . . . 0.0 112.384 -171.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -53.77 -55.8 23.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.187 0.995 . . . . 0.0 110.565 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -32.77 65.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.249 0.62 . . . . 0.0 111.684 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.7 -40.54 69.45 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.548 0.613 . . . . 0.0 110.283 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p -69.1 -51.91 33.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 111.113 0.042 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.9 -37.73 86.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.981 0.913 . . . . 0.0 111.13 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.43 60.95 4.79 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -96.74 133.4 41.35 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.613 1.165 . . . . 0.0 108.63 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -35.45 -45.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.812 2.045 . . . . 0.0 114.619 -172.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -46.4 -54.73 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.774 1.23 . . . . 0.0 112.764 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.5 -40.11 12.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.769 0.828 . . . . 0.0 110.957 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.37 -53.83 51.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.726 1.611 . . . . 0.0 113.046 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -50.2 -35.93 28.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.235 1.014 . . . . 0.0 112.5 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -58.48 -17.43 20.97 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 126.69 1.996 . . . . 0.0 112.618 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -137.21 31.62 2.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 112.94 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.27 -33.0 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 125.461 1.504 . . . . 0.0 109.708 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.98 -137.8 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.004 2.122 . . . . 0.0 112.474 -173.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -89.99 -106.72 0.09 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.004 0.922 . . . . 0.0 110.389 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -50.71 -53.99 26.88 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.8 1.24 . . . . 0.0 111.136 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -54.22 -35.27 62.24 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.834 0.854 . . . . 0.0 112.398 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -46.79 71.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.852 0.461 . . . . 0.0 111.15 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -64.56 -42.34 95.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.126 0.421 . . . . 0.0 110.772 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -68.59 -38.17 80.44 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.401 0.143 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -54.59 -51.26 65.88 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.871 0.869 . . . . 0.0 111.062 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.42 45.52 2.37 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.05 0.833 . . . . 0.0 112.463 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -156.28 -58.95 0.1 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.179 1.792 . . . . 0.0 107.012 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 m -57.06 -47.74 80.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.808 2.043 . . . . 0.0 111.064 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -60.53 -27.52 67.69 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -90.05 -50.51 5.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 109.291 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -49.36 -47.76 47.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.807 1.643 . . . . 0.0 111.944 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -56.1 -18.45 9.84 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.22 1.408 . . . . 0.0 113.526 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -70.85 -60.98 1.94 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -86.99 56.09 3.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 122.506 1.146 . . . . 0.0 109.185 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -138.44 -44.8 0.5 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.073 2.149 . . . . 0.0 107.009 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -40.34 -92.43 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 128.886 2.874 . . . . 0.0 114.98 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -150.09 -103.96 0.07 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 111.363 -172.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -61.38 2.28 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.601 1.16 . . . . 0.0 110.659 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -53.99 -32.86 55.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 112.085 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -45.95 66.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.061 0.544 . . . . 0.0 111.345 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -67.28 -39.3 86.01 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.048 0.386 . . . . 0.0 110.834 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -69.45 -41.96 75.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.162 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.404 0.145 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 165.48 30.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.681 1.592 . . . . 0.0 108.949 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.05 36.68 2.35 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 123.319 0.485 . . . . 0.0 112.988 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -167.27 -171.53 1.75 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.573 1.549 . . . . 0.0 108.651 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 p 49.68 -96.31 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.008 2.123 . . . . 0.0 112.408 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -58.87 -30.56 67.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.281 1.032 . . . . 0.0 111.877 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -90.06 -39.47 12.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.831 1.252 . . . . 0.0 109.054 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -53.61 -37.67 63.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 111.396 173.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -51.3 -25.91 6.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.787 1.235 . . . . 0.0 113.358 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -73.32 -54.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -91.03 53.44 2.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.917 1.341 . . . . 0.0 109.608 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 tp -135.69 -20.05 1.57 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 128.351 2.66 . . . . 0.0 108.554 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.22 -124.2 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.845 1.658 . . . . 0.0 110.541 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -94.28 -110.82 0.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.449 1.1 . . . . 0.0 110.733 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -53.18 8.76 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.869 1.668 . . . . 0.0 111.866 -173.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -49.96 -47.37 52.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.019 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.68 86.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.671 0.388 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -69.3 -45.72 68.9 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -70.25 -42.5 72.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.039 0 O-C-N 122.133 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -83.63 58.99 4.88 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.856 1.262 . . . . 0.0 110.27 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.75 66.14 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.9 p -137.75 164.1 29.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.095 1.358 . . . . 0.0 109.87 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m 45.76 -97.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.892 2.077 . . . . 0.0 113.144 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -63.74 -31.5 72.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.533 1.133 . . . . 0.0 112.264 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -86.56 -40.2 15.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.07 0.948 . . . . 0.0 108.645 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -54.56 -41.01 69.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.287 0.635 . . . . 0.0 111.475 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -54.51 -20.22 7.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.594 1.158 . . . . 0.0 113.31 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.38 -60.23 2.33 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -86.95 60.31 6.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.846 1.308 . . . . 0.0 108.574 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -141.64 -43.98 0.36 Allowed 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.908 2.483 . . . . 0.0 107.048 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -39.57 -95.65 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 128.922 2.889 . . . . 0.0 114.907 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -150.4 -93.87 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.496 0.718 . . . . 0.0 111.734 -172.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.14 -62.87 1.42 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.884 0.874 . . . . 0.0 109.617 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -57.3 -26.57 61.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.997 0.919 . . . . 0.0 112.739 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.13 -54.33 8.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.652 0.66 . . . . 0.0 109.971 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.75 -46.87 83.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.171 0.988 . . . . 0.0 110.329 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p -70.43 -51.89 26.16 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -158.08 139.36 13.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.486 1.114 . . . . 0.0 109.375 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.27 -113.44 5.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.9 m -157.67 -62.1 0.09 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.901 1.28 . . . . 0.0 108.904 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.269 1.428 . . . . 0.0 111.544 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -50.43 -32.28 17.32 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.165 1.386 . . . . 0.0 112.637 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -55.74 30.44 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.836 0.454 . . . . 0.0 110.35 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -70.94 -30.81 67.22 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -50.94 -32.62 21.38 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 112.622 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -63.6 -60.79 2.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.905 0.882 . . . . 0.0 110.664 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -76.08 3.65 10.05 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.121 0.419 . . . . 0.0 112.011 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 tp -100.22 -14.5 18.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.071 1.748 . . . . 0.0 110.405 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.03 -126.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.445 1.098 . . . . 0.0 112.808 -173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -104.62 -114.45 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.725 1.21 . . . . 0.0 111.874 -169.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -47.14 -53.59 12.6 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.226 1.41 . . . . 0.0 113.15 -171.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -55.83 -46.93 78.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.47 77.8 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.565 0.746 . . . . 0.0 110.996 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -59.43 -46.89 87.47 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.099 0.409 . . . . 0.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -70.78 -38.93 73.44 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.239 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 43.92 -117.32 0.51 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.134 1.774 . . . . 0.0 112.454 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.17 -149.86 5.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -86.39 179.52 6.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.64 0.776 . . . . 0.0 110.175 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -50.79 -46.88 59.81 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.69 1.196 . . . . 0.0 111.8 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -52.18 -29.98 24.89 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -90.12 -61.48 1.68 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.2 1.0 . . . . 0.0 110.885 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.35 -36.97 68.94 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -60.78 -20.78 62.16 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -67.38 -58.84 4.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.724 0.809 . . . . 0.0 109.889 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.96 -30.96 67.4 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.374 0.27 . . . . 0.0 110.566 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.5 -34.19 76.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.062 0.945 . . . . 0.0 111.426 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.66 -66.52 0.39 Allowed 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -171.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.5 m -130.29 -99.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.898 0.879 . . . . 0.0 110.183 -170.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -156.7 29.32 0.32 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -61.05 -54.89 39.15 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.58 73.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.8 1.24 . . . . 0.0 111.122 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.96 -45.77 89.69 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -70.8 -38.85 73.36 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.165 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -78.05 -61.98 1.82 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.749 0.82 . . . . 0.0 109.772 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.62 2.37 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 p -107.41 -109.64 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.417 1.087 . . . . 0.0 109.621 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.6 p -143.91 -61.34 0.39 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.34 1.456 . . . . 0.0 109.251 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -49.71 -50.54 43.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.767 1.627 . . . . 0.0 112.641 -175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -88.82 -42.76 11.7 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.863 0.865 . . . . 0.0 110.171 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -52.54 -58.17 7.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.289 1.436 . . . . 0.0 112.549 -173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -57.26 -18.3 15.74 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -76.61 -65.52 0.92 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -70.49 -17.55 62.96 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.99 -35.47 64.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.036 0.934 . . . . 0.0 109.925 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.21 149.01 50.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.616 0.766 . . . . 0.0 111.329 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -100.65 89.15 3.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.816 1.246 . . . . 0.0 110.628 -172.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -179.07 -54.48 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -70.32 -48.41 56.7 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.97 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.59 97.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.737 0.415 . . . . 0.0 110.981 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -61.56 -46.26 90.64 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -69.28 -41.21 77.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 55.0 37.2 28.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.705 1.202 . . . . 0.0 111.135 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.53 -74.11 1.33 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -105.24 110.09 22.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.107 1.363 . . . . 0.0 108.293 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -56.17 -45.88 79.53 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.986 0.915 . . . . 0.0 111.075 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -54.99 -25.7 31.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.752 1.221 . . . . 0.0 112.971 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.48 -60.86 3.06 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.555 0.616 . . . . 0.0 110.261 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -71.14 -26.24 62.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.442 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -51.11 -33.13 24.94 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.51 0.724 . . . . 0.0 111.831 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.81 -60.99 2.59 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -86.75 49.81 1.88 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 122.244 1.021 . . . . 0.0 109.639 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -141.13 -40.24 0.4 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 127.145 2.178 . . . . 0.0 108.14 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -40.95 -91.44 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.988 2.515 . . . . 0.0 115.073 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -143.73 -115.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.245 1.018 . . . . 0.0 110.986 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.6 -59.24 3.96 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.884 1.274 . . . . 0.0 111.11 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -54.19 -32.38 55.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.943 0.897 . . . . 0.0 111.933 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.94 64.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.109 0.563 . . . . 0.0 110.843 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -61.08 -47.68 85.21 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p -69.17 -51.11 41.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.058 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.227 -0.092 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 N--CA 1.46 0.067 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.385 0.136 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.571 0.224 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.227 -0.11 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -77.31 -53.51 7.61 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.014 0.926 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.76 -168.99 54.0 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.901 0.762 . . . . 0.0 112.347 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.3 p -137.48 103.49 5.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.2 1.4 . . . . 0.0 109.635 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.265 3.9 t 41.92 -109.24 0.11 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.734 2.014 . . . . 0.0 113.224 175.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -49.77 -34.84 20.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.601 1.561 . . . . 0.0 112.685 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.06 -53.85 52.09 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.091 0.556 . . . . 0.0 109.886 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -70.89 -26.47 63.25 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -50.39 -33.92 22.37 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.105 0.962 . . . . 0.0 111.578 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -63.26 -50.59 69.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.191 0.996 . . . . 0.0 110.765 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -88.63 24.51 1.96 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.635 0.774 . . . . 0.0 111.976 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.4 -13.31 8.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.781 2.032 . . . . 0.0 108.616 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.79 -115.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.972 1.309 . . . . 0.0 110.588 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -96.68 -114.11 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.541 1.137 . . . . 0.0 111.646 -171.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -43.24 -52.78 5.49 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.542 1.937 . . . . 0.0 113.058 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 -62.33 -35.69 79.88 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.828 0.851 . . . . 0.0 111.43 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.695 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.87 -39.47 76.32 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.54 64.51 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.097 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -46.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.313 1.045 . . . . 0.0 110.597 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.79 73.23 2.31 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -149.91 -149.29 0.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.29 1.036 . . . . 0.0 108.736 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 p -120.51 -48.69 2.28 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.026 1.731 . . . . 0.0 109.185 176.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -56.2 -63.51 1.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.176 1.39 . . . . 0.0 111.051 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -90.37 58.48 4.03 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 124.821 1.248 . . . . 0.0 108.612 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -160.07 -69.18 0.07 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -55.37 -16.82 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.234 1.414 . . . . 0.0 113.779 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -70.06 -30.76 68.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.869 1.267 . . . . 0.0 110.965 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -120.61 -27.84 5.04 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.099 1.76 . . . . 0.0 112.611 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -35.2 -47.8 0.41 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.866 2.466 . . . . 0.0 114.941 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.28 133.82 19.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.956 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -88.2 71.54 9.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.808 0.814 . . . . 0.0 110.357 -171.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -171.73 -49.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.895 1.678 . . . . 0.0 107.109 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -71.93 -52.07 18.99 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.291 0.237 . . . . 0.0 111.164 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.29 96.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.377 0.671 . . . . 0.0 110.135 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.92 -43.01 99.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.116 1.367 . . . . 0.0 110.715 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.78 64.25 6.4 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 O-C-N 122.136 -0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 155.49 27.35 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.567 1.147 . . . . 0.0 109.989 177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.33 5.41 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -70.86 167.86 18.06 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.264 0.626 . . . . 0.0 109.593 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -55.13 -50.74 68.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.371 0.268 . . . . 0.0 110.691 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -57.82 -43.86 86.03 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.102 0.961 . . . . 0.0 111.182 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -62.31 -58.92 5.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.925 0.49 . . . . 0.0 110.821 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.72 -28.06 68.13 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.174 -0.917 . . . . 0.0 113.232 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 m -48.97 -33.88 11.87 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.736 0.698 . . . . 0.0 111.682 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.48 -55.65 16.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.963 0.505 . . . . 0.0 110.377 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -87.88 27.07 1.21 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.239 0.616 . . . . 0.0 112.212 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -120.37 -34.55 3.62 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 127.146 2.178 . . . . 0.0 107.234 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.95 158.48 16.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.314 1.046 . . . . 0.0 110.319 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -88.3 88.02 7.49 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.103 0.954 . . . . 0.0 111.309 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -179.47 -55.73 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -77.26 -48.14 18.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.052 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.81 70.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.359 0.412 . . . . 0.0 110.543 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -71.49 -41.35 69.4 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.068 0.395 . . . . 0.0 110.476 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -69.9 -43.08 72.48 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 122.077 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.87 -39.96 69.28 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.095 0.958 . . . . 0.0 110.906 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.82 49.71 7.58 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p -137.7 -167.47 2.14 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.062 1.745 . . . . 0.0 108.755 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -44.66 -49.18 10.51 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.908 1.683 . . . . 0.0 112.123 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -47.94 -42.08 26.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.347 1.059 . . . . 0.0 112.092 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -82.63 -63.85 1.29 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.264 1.026 . . . . 0.0 110.335 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -171.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -52.9 -28.14 21.91 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.014 0.825 . . . . 0.0 112.164 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -68.01 -62.45 1.4 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -86.69 47.51 1.5 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 122.046 0.927 . . . . 0.0 110.365 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.61 -47.0 0.75 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.556 2.342 . . . . 0.0 106.821 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -37.88 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 129.053 2.941 . . . . 0.0 115.256 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -140.73 -114.93 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.157 0.983 . . . . 0.0 111.156 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -58.77 4.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.912 1.285 . . . . 0.0 111.212 -173.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -54.64 -31.95 58.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.775 0.83 . . . . 0.0 111.911 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.55 65.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.169 0.588 . . . . 0.0 110.901 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -63.3 -42.8 99.08 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.149 0.431 . . . . 0.0 110.6 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t -163.37 -44.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.01 0 O-C-N 122.083 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 56.09 55.24 7.01 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 110.011 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.04 -72.34 2.29 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 m -135.54 132.96 37.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.06 1.344 . . . . 0.0 108.032 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.6 p -53.49 -42.87 67.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.079 0.952 . . . . 0.0 112.106 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -44.54 -35.73 2.66 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.393 1.877 . . . . 0.0 113.27 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.38 -63.97 1.05 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.628 0.771 . . . . 0.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -66.36 -33.71 76.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.748 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.5 m -50.08 -28.65 7.49 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.327 1.051 . . . . 0.0 112.929 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -68.4 -63.22 1.1 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -85.07 42.08 0.91 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.6 -29.54 2.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.316 2.646 . . . . 0.0 107.703 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.66 -138.87 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.796 2.038 . . . . 0.0 110.596 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.5 p -94.3 -101.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.116 0.871 . . . . 0.0 111.48 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -46.56 -62.81 1.2 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.657 1.583 . . . . 0.0 111.977 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -25.24 66.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -172.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.87 66.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.316 0.507 . . . . 0.0 110.187 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 117.918 0.326 . . . . 0.0 110.276 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p -71.17 -53.99 12.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.059 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 77.97 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.701 1.201 . . . . 0.0 109.077 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.39 32.17 0.82 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.781 1.182 . . . . 0.0 114.954 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -142.38 17.5 2.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.407 1.883 . . . . 0.0 108.982 171.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -147.14 -61.37 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.118 1.367 . . . . 0.0 108.28 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -66.65 -53.86 29.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -90.13 60.31 4.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -164.99 -60.11 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.633 0.373 . . . . 0.0 111.151 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -52.84 -25.73 12.42 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.744 1.617 . . . . 0.0 114.798 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -46.31 77.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.503 0.721 . . . . 0.0 112.244 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -106.26 23.98 13.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 125.494 1.518 . . . . 0.0 111.057 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.22 67.28 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.34 -130.23 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.764 0.825 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.8 m -103.46 -54.68 2.54 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.492 1.117 . . . . 0.0 112.371 -171.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -66.55 0.91 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -175.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.98 -50.43 19.09 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 125.837 1.655 . . . . 0.0 115.157 -171.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.21 65.75 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.362 0.665 . . . . 0.0 110.596 -172.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -63.46 -39.41 94.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.337 1.055 . . . . 0.0 110.54 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p -69.24 -52.63 25.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.072 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.46 160.17 28.06 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.004 0.922 . . . . 0.0 112.196 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.08 41.37 2.41 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.12 0.867 . . . . 0.0 112.589 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -162.33 36.77 0.11 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.837 1.655 . . . . 0.0 108.921 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -143.52 -70.23 0.32 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -67.53 -27.05 66.64 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.748 0.819 . . . . 0.0 111.142 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.1 -43.51 13.02 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.807 1.243 . . . . 0.0 108.77 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -53.45 -34.83 59.41 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.004 . . . . 0.0 111.861 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -48.51 -28.37 3.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 113.167 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -72.24 -61.08 1.92 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -86.54 54.19 3.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.664 1.221 . . . . 0.0 109.501 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -134.44 -15.0 2.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.495 2.718 . . . . 0.0 109.006 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.93 -123.06 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.761 1.624 . . . . 0.0 110.798 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -120.51 -86.54 0.65 Allowed 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.308 1.043 . . . . 0.0 110.653 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -58.09 -62.91 1.48 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.479 0.581 . . . . 0.0 109.554 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -55.97 -29.75 60.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.506 0.723 . . . . 0.0 112.879 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.51 -54.5 10.34 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.713 0.688 . . . . 0.0 110.121 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.68 -47.19 86.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.939 0.896 . . . . 0.0 110.424 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -70.47 -43.49 69.67 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.042 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 111.175 0.065 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -89.31 55.21 3.19 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.9 42.19 98.45 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -172.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.8 p -100.63 -95.48 0.26 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.537 1.135 . . . . 0.0 108.988 -174.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -55.21 -41.45 72.05 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.089 1.355 . . . . 0.0 110.332 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -47.1 -33.98 5.54 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.131 1.372 . . . . 0.0 112.167 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.58 -73.27 0.52 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.846 0.858 . . . . 0.0 110.394 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -67.25 -48.63 67.18 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -58.51 -29.42 66.26 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.45 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.026 0.53 . . . . 0.0 111.046 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -80.85 7.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 tp -105.81 -15.2 15.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.56 1.944 . . . . 0.0 109.794 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.45 -118.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.354 1.062 . . . . 0.0 111.493 -175.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.5 p -100.73 -108.09 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.133 0.973 . . . . 0.0 111.834 -171.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -41.22 -55.06 2.78 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.093 2.157 . . . . 0.0 112.384 -171.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -53.77 -55.8 23.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.187 0.995 . . . . 0.0 110.565 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -32.77 65.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.249 0.62 . . . . 0.0 111.684 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.7 -40.54 69.45 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.548 0.613 . . . . 0.0 110.283 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p -69.1 -51.91 33.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 111.113 0.042 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.9 -37.73 86.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.981 0.913 . . . . 0.0 111.13 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.43 60.95 4.79 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -96.74 133.4 41.35 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.613 1.165 . . . . 0.0 108.63 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -35.45 -45.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.812 2.045 . . . . 0.0 114.619 -172.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -46.4 -54.73 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.774 1.23 . . . . 0.0 112.764 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.5 -40.11 12.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.769 0.828 . . . . 0.0 110.957 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.37 -53.83 51.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.726 1.611 . . . . 0.0 113.046 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -50.2 -35.93 28.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.235 1.014 . . . . 0.0 112.5 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -58.48 -17.43 20.97 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 126.69 1.996 . . . . 0.0 112.618 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -137.21 31.62 2.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 112.94 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.27 -33.0 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 125.461 1.504 . . . . 0.0 109.708 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.98 -137.8 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.004 2.122 . . . . 0.0 112.474 -173.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -89.99 -106.72 0.09 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.004 0.922 . . . . 0.0 110.389 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -50.71 -53.99 26.88 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.8 1.24 . . . . 0.0 111.136 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -54.22 -35.27 62.24 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.834 0.854 . . . . 0.0 112.398 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -46.79 71.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.852 0.461 . . . . 0.0 111.15 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -64.56 -42.34 95.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.126 0.421 . . . . 0.0 110.772 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -68.59 -38.17 80.44 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.401 0.143 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -54.59 -51.26 65.88 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.871 0.869 . . . . 0.0 111.062 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.42 45.52 2.37 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.05 0.833 . . . . 0.0 112.463 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -156.28 -58.95 0.1 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.179 1.792 . . . . 0.0 107.012 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 m -57.06 -47.74 80.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.808 2.043 . . . . 0.0 111.064 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -60.53 -27.52 67.69 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -90.05 -50.51 5.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 109.291 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -49.36 -47.76 47.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.807 1.643 . . . . 0.0 111.944 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -56.1 -18.45 9.84 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.22 1.408 . . . . 0.0 113.526 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -70.85 -60.98 1.94 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -86.99 56.09 3.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 122.506 1.146 . . . . 0.0 109.185 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -138.44 -44.8 0.5 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.073 2.149 . . . . 0.0 107.009 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -40.34 -92.43 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 128.886 2.874 . . . . 0.0 114.98 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -150.09 -103.96 0.07 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 111.363 -172.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -61.38 2.28 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.601 1.16 . . . . 0.0 110.659 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -53.99 -32.86 55.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 112.085 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -45.95 66.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.061 0.544 . . . . 0.0 111.345 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -67.28 -39.3 86.01 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.048 0.386 . . . . 0.0 110.834 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -69.45 -41.96 75.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.162 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.404 0.145 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 165.48 30.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.681 1.592 . . . . 0.0 108.949 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.05 36.68 2.35 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 123.319 0.485 . . . . 0.0 112.988 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -167.27 -171.53 1.75 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.573 1.549 . . . . 0.0 108.651 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 p 49.68 -96.31 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.008 2.123 . . . . 0.0 112.408 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -58.87 -30.56 67.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.281 1.032 . . . . 0.0 111.877 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -90.06 -39.47 12.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.831 1.252 . . . . 0.0 109.054 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -53.61 -37.67 63.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 111.396 173.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -51.3 -25.91 6.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.787 1.235 . . . . 0.0 113.358 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -73.32 -54.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -91.03 53.44 2.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.917 1.341 . . . . 0.0 109.608 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 tp -135.69 -20.05 1.57 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 128.351 2.66 . . . . 0.0 108.554 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.22 -124.2 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.845 1.658 . . . . 0.0 110.541 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -94.28 -110.82 0.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.449 1.1 . . . . 0.0 110.733 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -53.18 8.76 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.869 1.668 . . . . 0.0 111.866 -173.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -49.96 -47.37 52.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.019 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.68 86.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.671 0.388 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -69.3 -45.72 68.9 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -70.25 -42.5 72.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.039 0 O-C-N 122.133 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -83.63 58.99 4.88 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.856 1.262 . . . . 0.0 110.27 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.75 66.14 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.9 p -137.75 164.1 29.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.095 1.358 . . . . 0.0 109.87 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m 45.76 -97.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.892 2.077 . . . . 0.0 113.144 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -63.74 -31.5 72.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.533 1.133 . . . . 0.0 112.264 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -86.56 -40.2 15.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.07 0.948 . . . . 0.0 108.645 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -54.56 -41.01 69.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.287 0.635 . . . . 0.0 111.475 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -54.51 -20.22 7.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.594 1.158 . . . . 0.0 113.31 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.38 -60.23 2.33 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -86.95 60.31 6.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.846 1.308 . . . . 0.0 108.574 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -141.64 -43.98 0.36 Allowed 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.908 2.483 . . . . 0.0 107.048 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -39.57 -95.65 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 128.922 2.889 . . . . 0.0 114.907 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -150.4 -93.87 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.496 0.718 . . . . 0.0 111.734 -172.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.14 -62.87 1.42 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.884 0.874 . . . . 0.0 109.617 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -57.3 -26.57 61.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.997 0.919 . . . . 0.0 112.739 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.13 -54.33 8.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.652 0.66 . . . . 0.0 109.971 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.75 -46.87 83.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.171 0.988 . . . . 0.0 110.329 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p -70.43 -51.89 26.16 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -158.08 139.36 13.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.486 1.114 . . . . 0.0 109.375 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.27 -113.44 5.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.9 m -157.67 -62.1 0.09 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.901 1.28 . . . . 0.0 108.904 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.269 1.428 . . . . 0.0 111.544 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -50.43 -32.28 17.32 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.165 1.386 . . . . 0.0 112.637 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -55.74 30.44 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.836 0.454 . . . . 0.0 110.35 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -70.94 -30.81 67.22 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -50.94 -32.62 21.38 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 112.622 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -63.6 -60.79 2.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.905 0.882 . . . . 0.0 110.664 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -76.08 3.65 10.05 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.121 0.419 . . . . 0.0 112.011 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 tp -100.22 -14.5 18.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.071 1.748 . . . . 0.0 110.405 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.03 -126.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.445 1.098 . . . . 0.0 112.808 -173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -104.62 -114.45 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.725 1.21 . . . . 0.0 111.874 -169.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -47.14 -53.59 12.6 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.226 1.41 . . . . 0.0 113.15 -171.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -55.83 -46.93 78.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.47 77.8 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.565 0.746 . . . . 0.0 110.996 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -59.43 -46.89 87.47 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.099 0.409 . . . . 0.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -70.78 -38.93 73.44 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.239 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 43.92 -117.32 0.51 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.134 1.774 . . . . 0.0 112.454 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.17 -149.86 5.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -86.39 179.52 6.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.64 0.776 . . . . 0.0 110.175 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -50.79 -46.88 59.81 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.69 1.196 . . . . 0.0 111.8 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -52.18 -29.98 24.89 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -90.12 -61.48 1.68 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.2 1.0 . . . . 0.0 110.885 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.35 -36.97 68.94 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -60.78 -20.78 62.16 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -67.38 -58.84 4.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.724 0.809 . . . . 0.0 109.889 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.96 -30.96 67.4 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.374 0.27 . . . . 0.0 110.566 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.5 -34.19 76.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.062 0.945 . . . . 0.0 111.426 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.66 -66.52 0.39 Allowed 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -171.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.5 m -130.29 -99.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.898 0.879 . . . . 0.0 110.183 -170.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -156.7 29.32 0.32 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -61.05 -54.89 39.15 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.58 73.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.8 1.24 . . . . 0.0 111.122 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.96 -45.77 89.69 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -70.8 -38.85 73.36 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.165 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -78.05 -61.98 1.82 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.749 0.82 . . . . 0.0 109.772 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.62 2.37 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 p -107.41 -109.64 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.417 1.087 . . . . 0.0 109.621 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.6 p -143.91 -61.34 0.39 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.34 1.456 . . . . 0.0 109.251 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -49.71 -50.54 43.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.767 1.627 . . . . 0.0 112.641 -175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -88.82 -42.76 11.7 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.863 0.865 . . . . 0.0 110.171 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -52.54 -58.17 7.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.289 1.436 . . . . 0.0 112.549 -173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -57.26 -18.3 15.74 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -76.61 -65.52 0.92 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -70.49 -17.55 62.96 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.99 -35.47 64.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.036 0.934 . . . . 0.0 109.925 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.21 149.01 50.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.616 0.766 . . . . 0.0 111.329 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -100.65 89.15 3.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.816 1.246 . . . . 0.0 110.628 -172.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -179.07 -54.48 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -70.32 -48.41 56.7 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.97 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.59 97.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.737 0.415 . . . . 0.0 110.981 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -61.56 -46.26 90.64 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -69.28 -41.21 77.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 55.0 37.2 28.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.705 1.202 . . . . 0.0 111.135 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.53 -74.11 1.33 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -105.24 110.09 22.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.107 1.363 . . . . 0.0 108.293 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -56.17 -45.88 79.53 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.986 0.915 . . . . 0.0 111.075 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -54.99 -25.7 31.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.752 1.221 . . . . 0.0 112.971 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.48 -60.86 3.06 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.555 0.616 . . . . 0.0 110.261 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -71.14 -26.24 62.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.442 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -51.11 -33.13 24.94 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.51 0.724 . . . . 0.0 111.831 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.81 -60.99 2.59 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -86.75 49.81 1.88 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 122.244 1.021 . . . . 0.0 109.639 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 12' ' ' LEU . 7.5 tp -141.13 -40.24 0.4 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 127.145 2.178 . . . . 0.0 108.14 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -40.95 -91.44 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.988 2.515 . . . . 0.0 115.073 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -143.73 -115.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.245 1.018 . . . . 0.0 110.986 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.6 -59.24 3.96 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.884 1.274 . . . . 0.0 111.11 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -54.19 -32.38 55.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.943 0.897 . . . . 0.0 111.933 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.94 64.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.109 0.563 . . . . 0.0 110.843 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -61.08 -47.68 85.21 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p -69.17 -51.11 41.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.058 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.227 -0.092 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 N--CA 1.46 0.067 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.385 0.136 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.571 0.224 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.227 -0.11 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -77.31 -53.51 7.61 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.014 0.926 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.76 -168.99 54.0 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.901 0.762 . . . . 0.0 112.347 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.3 p -137.48 103.49 5.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.2 1.4 . . . . 0.0 109.635 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.265 3.9 t 41.92 -109.24 0.11 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.734 2.014 . . . . 0.0 113.224 175.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -49.77 -34.84 20.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.601 1.561 . . . . 0.0 112.685 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.06 -53.85 52.09 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.091 0.556 . . . . 0.0 109.886 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -70.89 -26.47 63.25 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -50.39 -33.92 22.37 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.105 0.962 . . . . 0.0 111.578 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -63.26 -50.59 69.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.191 0.996 . . . . 0.0 110.765 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -88.63 24.51 1.96 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.635 0.774 . . . . 0.0 111.976 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.4 -13.31 8.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.781 2.032 . . . . 0.0 108.616 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.79 -115.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.972 1.309 . . . . 0.0 110.588 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 m -96.68 -114.11 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.541 1.137 . . . . 0.0 111.646 -171.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -43.24 -52.78 5.49 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.542 1.937 . . . . 0.0 113.058 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 -62.33 -35.69 79.88 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.828 0.851 . . . . 0.0 111.43 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.695 174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.87 -39.47 76.32 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.9 -43.11 89.16 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.352 1.061 . . . . 0.0 109.382 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.13 -42.6 99.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.722 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -70.61 -42.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 118.399 -1.32 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -53.62 -40.36 65.69 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.429 0.692 . . . . 0.0 111.066 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -70.88 -56.99 5.07 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.555 0.742 . . . . 0.0 109.263 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.69 -41.59 32.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.731 1.612 . . . . 0.0 110.905 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.0 mtt -63.9 -54.88 27.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.343 1.057 . . . . 0.0 110.452 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -56.94 -38.42 72.88 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.088 0.555 . . . . 0.0 111.216 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.54 64.51 6.28 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.879 0.871 . . . . 0.0 109.611 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.097 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.39 -46.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.313 1.045 . . . . 0.0 110.597 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.79 73.23 2.31 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -149.91 -149.29 0.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.29 1.036 . . . . 0.0 108.736 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.6 p -120.51 -48.69 2.28 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.026 1.731 . . . . 0.0 109.185 176.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -56.2 -63.51 1.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.176 1.39 . . . . 0.0 111.051 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -90.37 58.48 4.03 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 124.821 1.248 . . . . 0.0 108.612 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -160.07 -69.18 0.07 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -55.37 -16.82 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.234 1.414 . . . . 0.0 113.779 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -70.06 -30.76 68.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.869 1.267 . . . . 0.0 110.965 -176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -120.61 -27.84 5.04 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.099 1.76 . . . . 0.0 112.611 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -35.2 -47.8 0.41 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.866 2.466 . . . . 0.0 114.941 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.28 133.82 19.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.956 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -88.2 71.54 9.19 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.808 0.814 . . . . 0.0 110.357 -171.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -171.73 -49.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.895 1.678 . . . . 0.0 107.109 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -71.93 -52.07 18.99 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.291 0.237 . . . . 0.0 111.164 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.29 96.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.377 0.671 . . . . 0.0 110.135 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.92 -43.01 99.95 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.116 1.367 . . . . 0.0 110.715 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.34 -45.78 91.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.487 0.715 . . . . 0.0 110.251 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -60.43 -38.75 85.08 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.175 0.59 . . . . 0.0 110.829 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.59 -50.81 63.34 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -54.02 -34.97 61.37 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.721 0.808 . . . . 0.0 111.387 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -71.58 -56.67 5.43 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -48.78 -44.38 38.85 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.112 1.365 . . . . 0.0 110.177 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.9 mmm -63.11 -52.85 60.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.533 1.133 . . . . 0.0 110.716 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -54.98 -41.65 71.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.47 0.708 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.3 p -81.78 64.25 6.4 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.174 0.99 . . . . 0.0 109.745 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 O-C-N 122.136 -0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.12 155.49 27.35 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.567 1.147 . . . . 0.0 109.989 177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.33 5.41 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.8 p -70.86 167.86 18.06 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.264 0.626 . . . . 0.0 109.593 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -55.13 -50.74 68.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.371 0.268 . . . . 0.0 110.691 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -57.82 -43.86 86.03 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.102 0.961 . . . . 0.0 111.182 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -62.31 -58.92 5.94 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.925 0.49 . . . . 0.0 110.821 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.72 -28.06 68.13 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.174 -0.917 . . . . 0.0 113.232 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 m -48.97 -33.88 11.87 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.736 0.698 . . . . 0.0 111.682 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.48 -55.65 16.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.963 0.505 . . . . 0.0 110.377 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -87.88 27.07 1.21 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.239 0.616 . . . . 0.0 112.212 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 tp -120.37 -34.55 3.62 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 127.146 2.178 . . . . 0.0 107.234 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -61.95 158.48 16.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.314 1.046 . . . . 0.0 110.319 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 p -88.3 88.02 7.49 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.103 0.954 . . . . 0.0 111.309 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -179.47 -55.73 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -77.26 -48.14 18.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.052 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.81 70.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.359 0.412 . . . . 0.0 110.543 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -71.49 -41.35 69.4 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.068 0.395 . . . . 0.0 110.476 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.99 -45.26 93.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.456 0.702 . . . . 0.0 109.591 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -65.44 -38.92 91.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.867 0.867 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.15 -50.43 68.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.553 0.615 . . . . 0.0 109.975 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -53.76 -37.54 63.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.429 0.692 . . . . 0.0 111.086 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -69.92 -56.86 5.94 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -48.74 -39.2 23.97 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.5 1.52 . . . . 0.0 110.932 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.9 mmt -66.99 -53.19 33.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.905 0.882 . . . . 0.0 110.915 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -56.64 -42.23 78.52 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 122.693 0.397 . . . . 0.0 111.264 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -69.9 -43.08 72.48 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.196 0.599 . . . . 0.0 111.159 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 122.077 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.87 -39.96 69.28 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.095 0.958 . . . . 0.0 110.906 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.82 49.71 7.58 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -173.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p -137.7 -167.47 2.14 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.062 1.745 . . . . 0.0 108.755 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.0 m -44.66 -49.18 10.51 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.908 1.683 . . . . 0.0 112.123 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -47.94 -42.08 26.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.347 1.059 . . . . 0.0 112.092 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -82.63 -63.85 1.29 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.264 1.026 . . . . 0.0 110.335 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -171.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -52.9 -28.14 21.91 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.014 0.825 . . . . 0.0 112.164 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -68.01 -62.45 1.4 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -86.69 47.51 1.5 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 122.046 0.927 . . . . 0.0 110.365 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.61 -47.0 0.75 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.556 2.342 . . . . 0.0 106.821 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -37.88 -95.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 129.053 2.941 . . . . 0.0 115.256 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -140.73 -114.93 0.13 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.157 0.983 . . . . 0.0 111.156 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -58.77 4.66 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.912 1.285 . . . . 0.0 111.212 -173.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -54.64 -31.95 58.23 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.775 0.83 . . . . 0.0 111.911 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.55 65.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.169 0.588 . . . . 0.0 110.901 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -63.3 -42.8 99.08 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.149 0.431 . . . . 0.0 110.6 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.13 85.99 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.374 1.07 . . . . 0.0 110.044 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.51 -41.2 84.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.502 0.721 . . . . 0.0 110.883 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.8 t -66.45 -46.93 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 118.492 0.587 . . . . 0.0 110.218 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -56.62 -36.6 69.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.484 0.714 . . . . 0.0 111.165 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -71.05 -54.57 10.69 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.442 0.697 . . . . 0.0 109.458 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 tp -49.64 -40.9 41.07 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.937 1.695 . . . . 0.0 110.508 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mtp -62.9 -59.57 4.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.242 0.617 . . . . 0.0 109.522 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.74 52.82 2.36 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.516 0.726 . . . . 0.0 111.442 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t -163.37 -44.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.62 1.168 . . . . 0.0 109.576 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.01 0 O-C-N 122.083 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 56.09 55.24 7.01 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.661 1.184 . . . . 0.0 110.011 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.04 -72.34 2.29 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 m -135.54 132.96 37.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.06 1.344 . . . . 0.0 108.032 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.6 p -53.49 -42.87 67.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.079 0.952 . . . . 0.0 112.106 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -44.54 -35.73 2.66 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.393 1.877 . . . . 0.0 113.27 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.38 -63.97 1.05 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.628 0.771 . . . . 0.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -66.36 -33.71 76.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.748 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.5 m -50.08 -28.65 7.49 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.327 1.051 . . . . 0.0 112.929 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -68.4 -63.22 1.1 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -85.07 42.08 0.91 Allowed 'General case' 0 C--N 1.341 0.198 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -126.6 -29.54 2.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 128.316 2.646 . . . . 0.0 107.703 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.66 -138.87 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.796 2.038 . . . . 0.0 110.596 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.5 p -94.3 -101.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.116 0.871 . . . . 0.0 111.48 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -46.56 -62.81 1.2 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.657 1.583 . . . . 0.0 111.977 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -25.24 66.18 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -172.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -44.87 66.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.316 0.507 . . . . 0.0 110.187 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 117.918 0.326 . . . . 0.0 110.276 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.88 -43.73 95.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.91 0.884 . . . . 0.0 110.212 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -61.61 -40.09 93.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.735 0.814 . . . . 0.0 110.91 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.1 -53.13 40.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 CA-C-N 118.569 0.622 . . . . 0.0 109.805 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.85 -43.28 8.64 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.934 1.294 . . . . 0.0 111.311 172.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -72.73 -56.66 4.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 0.0 109.579 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.6 tp -49.11 -40.1 30.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.713 1.605 . . . . 0.0 110.793 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.44 -55.36 10.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.095 0.958 . . . . 0.0 110.57 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -53.67 -43.76 69.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.298 1.039 . . . . 0.0 111.431 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.9 p -71.17 -53.99 12.55 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.013 0.925 . . . . 0.0 110.441 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.059 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 77.97 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.701 1.201 . . . . 0.0 109.077 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.39 32.17 0.82 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.781 1.182 . . . . 0.0 114.954 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.3 t -142.38 17.5 2.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.407 1.883 . . . . 0.0 108.982 171.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.6 m -147.14 -61.37 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.118 1.367 . . . . 0.0 108.28 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -66.65 -53.86 29.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -90.13 60.31 4.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -164.99 -60.11 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.633 0.373 . . . . 0.0 111.151 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -52.84 -25.73 12.42 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.744 1.617 . . . . 0.0 114.798 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -46.31 77.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.503 0.721 . . . . 0.0 112.244 -173.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -106.26 23.98 13.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 125.494 1.518 . . . . 0.0 111.057 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.22 67.28 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.34 -130.23 0.11 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.764 0.825 . . . . 0.0 108.891 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.8 m -103.46 -54.68 2.54 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.492 1.117 . . . . 0.0 112.371 -171.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -66.55 0.91 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -175.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.98 -50.43 19.09 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 125.837 1.655 . . . . 0.0 115.157 -171.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -48.21 65.75 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.362 0.665 . . . . 0.0 110.596 -172.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -63.46 -39.41 94.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.337 1.055 . . . . 0.0 110.54 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.45 -48.59 80.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.218 1.007 . . . . 0.0 110.379 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -59.4 -41.11 88.66 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.467 0.707 . . . . 0.0 110.812 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.95 -50.93 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 118.291 0.496 . . . . 0.0 110.016 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -55.37 -34.1 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.131 0.972 . . . . 0.0 111.633 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -71.98 -54.97 8.3 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.06 -42.59 63.27 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 109.601 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.16 -57.57 11.01 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.946 0.899 . . . . 0.0 111.095 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -53.94 -44.79 70.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.389 1.076 . . . . 0.0 111.584 -176.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 p -69.24 -52.63 25.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.721 0.808 . . . . 0.0 110.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.072 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.46 160.17 28.06 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.004 0.922 . . . . 0.0 112.196 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.08 41.37 2.41 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.12 0.867 . . . . 0.0 112.589 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -162.33 36.77 0.11 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.837 1.655 . . . . 0.0 108.921 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -143.52 -70.23 0.32 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -67.53 -27.05 66.64 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.748 0.819 . . . . 0.0 111.142 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.1 -43.51 13.02 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.807 1.243 . . . . 0.0 108.77 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -53.45 -34.83 59.41 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.211 1.004 . . . . 0.0 111.861 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -48.51 -28.37 3.31 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 113.167 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -72.24 -61.08 1.92 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -86.54 54.19 3.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.664 1.221 . . . . 0.0 109.501 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 tp -134.44 -15.0 2.2 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.495 2.718 . . . . 0.0 109.006 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -74.93 -123.06 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.761 1.624 . . . . 0.0 110.798 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -120.51 -86.54 0.65 Allowed 'General case' 0 C--N 1.341 0.205 0 C-N-CA 124.308 1.043 . . . . 0.0 110.653 -173.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -58.09 -62.91 1.48 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.479 0.581 . . . . 0.0 109.554 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -55.97 -29.75 60.71 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.506 0.723 . . . . 0.0 112.879 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.51 -54.5 10.34 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.713 0.688 . . . . 0.0 110.121 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.68 -47.19 86.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.939 0.896 . . . . 0.0 110.424 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.85 -50.16 74.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.038 0.935 . . . . 0.0 109.813 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.26 -39.22 75.16 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.443 0.697 . . . . 0.0 111.348 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.1 t -65.52 -54.61 26.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 CA-C-N 118.712 0.687 . . . . 0.0 110.619 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -58.64 -30.66 67.46 Favored 'General case' 0 CA--C 1.527 0.07 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -72.12 -57.51 4.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.57 -40.17 51.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.459 1.504 . . . . 0.0 110.639 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.9 mtp -64.19 -55.62 20.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.721 0.808 . . . . 0.0 110.592 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -54.46 -44.05 72.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.987 0.915 . . . . 0.0 111.446 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -70.47 -43.49 69.67 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.049 0 O-C-N 122.042 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 111.175 0.065 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -89.31 55.21 3.19 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.9 42.19 98.45 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -172.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.8 p -100.63 -95.48 0.26 Allowed 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.537 1.135 . . . . 0.0 108.988 -174.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -55.21 -41.45 72.05 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.089 1.355 . . . . 0.0 110.332 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -47.1 -33.98 5.54 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.131 1.372 . . . . 0.0 112.167 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -89.58 -73.27 0.52 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.846 0.858 . . . . 0.0 110.394 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -67.25 -48.63 67.18 Favored 'General case' 0 C--N 1.342 0.255 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 m -58.51 -29.42 66.26 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.45 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.026 0.53 . . . . 0.0 111.046 -174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -80.85 7.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.1 tp -105.81 -15.2 15.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.56 1.944 . . . . 0.0 109.794 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.45 -118.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.354 1.062 . . . . 0.0 111.493 -175.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.5 p -100.73 -108.09 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.133 0.973 . . . . 0.0 111.834 -171.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -41.22 -55.06 2.78 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.093 2.157 . . . . 0.0 112.384 -171.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -53.77 -55.8 23.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.187 0.995 . . . . 0.0 110.565 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -32.77 65.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.249 0.62 . . . . 0.0 111.684 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.7 -40.54 69.45 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.548 0.613 . . . . 0.0 110.283 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.38 -52.95 61.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -64.75 -37.45 87.65 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.818 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.77 -45.99 63.37 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 CA-C-N 120.46 1.482 . . . . 0.0 111.218 -174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.72 -32.74 74.33 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.543 0.337 . . . . 0.0 111.128 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -69.07 -56.51 7.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.6 tp -48.73 -40.42 28.48 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.766 1.626 . . . . 0.0 110.533 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.4 mtt -65.72 -56.42 12.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.345 0.658 . . . . 0.0 111.222 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.4 -43.88 79.73 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.154 0.582 . . . . 0.0 111.277 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.3 p -69.1 -51.91 33.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.665 0.786 . . . . 0.0 110.813 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 111.113 0.042 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -65.9 -37.73 86.88 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.981 0.913 . . . . 0.0 111.13 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.43 60.95 4.79 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -96.74 133.4 41.35 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.613 1.165 . . . . 0.0 108.63 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -35.45 -45.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.812 2.045 . . . . 0.0 114.619 -172.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -46.4 -54.73 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.774 1.23 . . . . 0.0 112.764 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.5 -40.11 12.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.769 0.828 . . . . 0.0 110.957 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.37 -53.83 51.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.726 1.611 . . . . 0.0 113.046 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -50.2 -35.93 28.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.235 1.014 . . . . 0.0 112.5 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -58.48 -17.43 20.97 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 126.69 1.996 . . . . 0.0 112.618 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -137.21 31.62 2.64 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 112.94 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.27 -33.0 6.56 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 125.461 1.504 . . . . 0.0 109.708 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.98 -137.8 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.004 2.122 . . . . 0.0 112.474 -173.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -89.99 -106.72 0.09 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.004 0.922 . . . . 0.0 110.389 -172.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -50.71 -53.99 26.88 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.8 1.24 . . . . 0.0 111.136 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -54.22 -35.27 62.24 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.834 0.854 . . . . 0.0 112.398 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -46.79 71.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.852 0.461 . . . . 0.0 111.15 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -64.56 -42.34 95.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.126 0.421 . . . . 0.0 110.772 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.69 -45.53 89.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.577 1.151 . . . . 0.0 109.951 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.15 -42.91 91.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.086 0.554 . . . . 0.0 110.867 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -64.36 -46.53 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 118.581 0.628 . . . . 0.0 110.188 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -56.28 -37.85 70.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.378 0.671 . . . . 0.0 111.163 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -67.64 -52.99 31.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.06 -44.56 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 74.3 mtp -60.43 -52.44 65.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.666 0.786 . . . . 0.0 111.091 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.56 -51.67 67.6 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.981 0.513 . . . . 0.0 111.822 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -68.59 -38.17 80.44 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.569 0.348 . . . . 0.0 111.414 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.401 0.143 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -54.59 -51.26 65.88 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.871 0.869 . . . . 0.0 111.062 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.42 45.52 2.37 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.05 0.833 . . . . 0.0 112.463 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -156.28 -58.95 0.1 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.179 1.792 . . . . 0.0 107.012 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 m -57.06 -47.74 80.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.808 2.043 . . . . 0.0 111.064 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -60.53 -27.52 67.69 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -90.05 -50.51 5.97 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.804 0.842 . . . . 0.0 109.291 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -49.36 -47.76 47.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.807 1.643 . . . . 0.0 111.944 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -56.1 -18.45 9.84 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.22 1.408 . . . . 0.0 113.526 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -70.85 -60.98 1.94 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -86.99 56.09 3.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 122.506 1.146 . . . . 0.0 109.185 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -138.44 -44.8 0.5 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.073 2.149 . . . . 0.0 107.009 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -40.34 -92.43 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 128.886 2.874 . . . . 0.0 114.98 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -150.09 -103.96 0.07 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 111.363 -172.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -61.38 2.28 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.601 1.16 . . . . 0.0 110.659 -173.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -53.99 -32.86 55.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 112.085 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -45.95 66.75 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.061 0.544 . . . . 0.0 111.345 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -67.28 -39.3 86.01 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.048 0.386 . . . . 0.0 110.834 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.41 -48.05 76.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.948 0.899 . . . . 0.0 109.134 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.52 -45.94 90.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.618 0.767 . . . . 0.0 111.209 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.4 -39.72 71.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 119.144 -1.023 . . . . 0.0 110.426 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.06 -42.56 76.82 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.853 0.461 . . . . 0.0 110.508 172.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -67.1 -53.13 33.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.86 -41.83 46.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.814 1.646 . . . . 0.0 110.379 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.3 -45.93 71.69 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.329 0.652 . . . . 0.0 111.055 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -60.62 -52.21 66.1 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.169 0.44 . . . . 0.0 111.433 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -69.45 -41.96 75.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.697 0.399 . . . . 0.0 111.13 -177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 122.162 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.404 0.145 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 165.48 30.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.681 1.592 . . . . 0.0 108.949 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.05 36.68 2.35 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 123.319 0.485 . . . . 0.0 112.988 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -167.27 -171.53 1.75 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.573 1.549 . . . . 0.0 108.651 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.8 p 49.68 -96.31 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.008 2.123 . . . . 0.0 112.408 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -58.87 -30.56 67.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.281 1.032 . . . . 0.0 111.877 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -90.06 -39.47 12.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.831 1.252 . . . . 0.0 109.054 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -53.61 -37.67 63.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 111.396 173.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -51.3 -25.91 6.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.787 1.235 . . . . 0.0 113.358 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -73.32 -54.99 7.02 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -91.03 53.44 2.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.917 1.341 . . . . 0.0 109.608 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 tp -135.69 -20.05 1.57 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 128.351 2.66 . . . . 0.0 108.554 173.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.22 -124.2 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.845 1.658 . . . . 0.0 110.541 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -94.28 -110.82 0.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.449 1.1 . . . . 0.0 110.733 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -53.18 8.76 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.869 1.668 . . . . 0.0 111.866 -173.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -49.96 -47.37 52.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.019 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.68 86.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.671 0.388 . . . . 0.0 110.925 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -69.3 -45.72 68.9 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.949 0.404 . . . . 0.0 109.964 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.34 -44.61 96.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.37 1.068 . . . . 0.0 108.663 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.57 -46.0 87.83 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.229 1.012 . . . . 0.0 111.563 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.81 -39.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 C-N-CA 118.483 -1.287 . . . . 0.0 111.614 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -55.81 -44.91 78.28 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 117.989 0.359 . . . . 0.0 110.26 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -65.79 -53.03 45.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.277 0.631 . . . . 0.0 109.456 -175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.21 -41.4 49.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.027 1.731 . . . . 0.0 110.482 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.7 mmt -69.94 -44.69 69.05 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.148 0.579 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.11 -51.32 70.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.854 0.462 . . . . 0.0 111.251 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -70.25 -42.5 72.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.736 0.414 . . . . 0.0 110.982 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.039 0 O-C-N 122.133 -0.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -83.63 58.99 4.88 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.856 1.262 . . . . 0.0 110.27 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.75 66.14 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.9 p -137.75 164.1 29.71 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.095 1.358 . . . . 0.0 109.87 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m 45.76 -97.21 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.892 2.077 . . . . 0.0 113.144 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 p -63.74 -31.5 72.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.533 1.133 . . . . 0.0 112.264 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -86.56 -40.2 15.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.07 0.948 . . . . 0.0 108.645 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -54.56 -41.01 69.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.287 0.635 . . . . 0.0 111.475 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 m -54.51 -20.22 7.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.594 1.158 . . . . 0.0 113.31 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -72.38 -60.23 2.33 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -86.95 60.31 6.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.846 1.308 . . . . 0.0 108.574 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -141.64 -43.98 0.36 Allowed 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.908 2.483 . . . . 0.0 107.048 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -39.57 -95.65 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 128.922 2.889 . . . . 0.0 114.907 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -150.4 -93.87 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.496 0.718 . . . . 0.0 111.734 -172.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -56.14 -62.87 1.42 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.884 0.874 . . . . 0.0 109.617 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -57.3 -26.57 61.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.997 0.919 . . . . 0.0 112.739 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.13 -54.33 8.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.652 0.66 . . . . 0.0 109.971 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.75 -46.87 83.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.171 0.988 . . . . 0.0 110.329 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.2 -48.21 81.05 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.868 0.867 . . . . 0.0 110.424 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -58.01 -38.4 76.08 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.291 0.636 . . . . 0.0 111.095 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.2 -47.77 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.758 0.708 . . . . 0.0 110.776 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -36.77 71.14 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 122.782 0.433 . . . . 0.0 111.232 175.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -68.76 -55.84 9.97 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -48.23 -42.55 30.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.104 1.762 . . . . 0.0 110.104 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.0 mtt -64.86 -56.97 10.18 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.642 0.777 . . . . 0.0 110.863 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -55.74 -42.95 76.13 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.914 0.885 . . . . 0.0 111.336 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p -70.43 -51.89 26.16 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.485 0.714 . . . . 0.0 110.803 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -158.08 139.36 13.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.486 1.114 . . . . 0.0 109.375 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.27 -113.44 5.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.9 m -157.67 -62.1 0.09 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.901 1.28 . . . . 0.0 108.904 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.269 1.428 . . . . 0.0 111.544 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -50.43 -32.28 17.32 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.165 1.386 . . . . 0.0 112.637 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -55.74 30.44 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.836 0.454 . . . . 0.0 110.35 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -70.94 -30.81 67.22 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -50.94 -32.62 21.38 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 112.622 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -63.6 -60.79 2.88 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.905 0.882 . . . . 0.0 110.664 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -76.08 3.65 10.05 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.121 0.419 . . . . 0.0 112.011 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 tp -100.22 -14.5 18.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.071 1.748 . . . . 0.0 110.405 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.03 -126.09 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.445 1.098 . . . . 0.0 112.808 -173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -104.62 -114.45 0.24 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.725 1.21 . . . . 0.0 111.874 -169.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -47.14 -53.59 12.6 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.226 1.41 . . . . 0.0 113.15 -171.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -55.83 -46.93 78.02 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.47 77.8 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.565 0.746 . . . . 0.0 110.996 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -59.43 -46.89 87.47 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.099 0.409 . . . . 0.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.61 -48.83 78.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.816 0.847 . . . . 0.0 110.065 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.38 -36.51 78.25 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.328 0.651 . . . . 0.0 111.552 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.39 -52.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 CA-C-N 119.193 0.906 . . . . 0.0 110.482 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.97 -38.66 62.34 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.445 0.698 . . . . 0.0 111.185 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -70.74 -55.05 9.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.8 tp -51.33 -42.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.491 1.516 . . . . 0.0 110.425 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.3 mmt -65.81 -50.26 65.31 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.559 0.744 . . . . 0.0 110.372 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.48 -51.27 70.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.609 0.764 . . . . 0.0 111.865 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -70.78 -38.93 73.44 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.025 0.53 . . . . 0.0 111.103 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.239 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 43.92 -117.32 0.51 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.134 1.774 . . . . 0.0 112.454 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.17 -149.86 5.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -86.39 179.52 6.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.64 0.776 . . . . 0.0 110.175 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -50.79 -46.88 59.81 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.69 1.196 . . . . 0.0 111.8 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -52.18 -29.98 24.89 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -90.12 -61.48 1.68 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.2 1.0 . . . . 0.0 110.885 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.35 -36.97 68.94 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -60.78 -20.78 62.16 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -67.38 -58.84 4.05 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.724 0.809 . . . . 0.0 109.889 -176.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.96 -30.96 67.4 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.374 0.27 . . . . 0.0 110.566 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.5 -34.19 76.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.062 0.945 . . . . 0.0 111.426 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.66 -66.52 0.39 Allowed 'General case' 0 C--N 1.342 0.257 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -171.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.5 m -130.29 -99.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.898 0.879 . . . . 0.0 110.183 -170.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -156.7 29.32 0.32 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -61.05 -54.89 39.15 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.58 73.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.8 1.24 . . . . 0.0 111.122 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.96 -45.77 89.69 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -57.18 -49.44 75.95 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 124.328 1.051 . . . . 0.0 110.083 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -57.78 -36.47 72.19 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.234 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -69.09 -51.73 40.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 CA-C-N 118.881 0.764 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -52.52 -40.33 62.33 Favored 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 122.952 0.501 . . . . 0.0 110.957 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -69.16 -54.73 13.36 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -50.59 -42.34 55.62 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.569 1.548 . . . . 0.0 110.54 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.4 mmt -67.09 -49.45 64.95 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.446 0.698 . . . . 0.0 110.628 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.09 -50.74 72.53 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.379 0.672 . . . . 0.0 111.539 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -70.8 -38.85 73.36 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 122.814 0.446 . . . . 0.0 111.179 -177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.165 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -78.05 -61.98 1.82 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.749 0.82 . . . . 0.0 109.772 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.95 71.62 2.37 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 p -107.41 -109.64 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.417 1.087 . . . . 0.0 109.621 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.6 p -143.91 -61.34 0.39 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.34 1.456 . . . . 0.0 109.251 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -49.71 -50.54 43.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.767 1.627 . . . . 0.0 112.641 -175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -88.82 -42.76 11.7 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.863 0.865 . . . . 0.0 110.171 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -52.54 -58.17 7.61 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.289 1.436 . . . . 0.0 112.549 -173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -57.26 -18.3 15.74 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -76.61 -65.52 0.92 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -70.49 -17.55 62.96 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.99 -35.47 64.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.036 0.934 . . . . 0.0 109.925 169.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.21 149.01 50.66 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.616 0.766 . . . . 0.0 111.329 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -100.65 89.15 3.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.816 1.246 . . . . 0.0 110.628 -172.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -179.07 -54.48 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -70.32 -48.41 56.7 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.97 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.59 97.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.737 0.415 . . . . 0.0 110.981 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -61.56 -46.26 90.64 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -58.23 -47.49 83.37 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.178 0.991 . . . . 0.0 110.338 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -57.94 -36.66 72.85 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.059 0.544 . . . . 0.0 110.729 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.82 -43.93 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 118.592 0.633 . . . . 0.0 110.985 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -58.43 -39.34 79.55 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.862 0.755 . . . . 0.0 110.568 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -67.17 -54.11 24.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.58 -42.23 43.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.813 1.645 . . . . 0.0 110.679 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp -65.88 -51.42 58.88 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.385 0.674 . . . . 0.0 110.75 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.69 -50.19 74.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.137 0.575 . . . . 0.0 111.729 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -69.28 -41.21 77.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.63 0.372 . . . . 0.0 111.037 -177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 55.0 37.2 28.53 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.705 1.202 . . . . 0.0 111.135 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.53 -74.11 1.33 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -172.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -105.24 110.09 22.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.107 1.363 . . . . 0.0 108.293 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -56.17 -45.88 79.53 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.986 0.915 . . . . 0.0 111.075 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -54.99 -25.7 31.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.752 1.221 . . . . 0.0 112.971 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.48 -60.86 3.06 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.555 0.616 . . . . 0.0 110.261 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -71.14 -26.24 62.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.442 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -51.11 -33.13 24.94 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.51 0.724 . . . . 0.0 111.831 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.81 -60.99 2.59 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -86.75 49.81 1.88 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 122.244 1.021 . . . . 0.0 109.639 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 12' ' ' LEU . 7.5 tp -141.13 -40.24 0.4 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 127.145 2.178 . . . . 0.0 108.14 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -40.95 -91.44 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.988 2.515 . . . . 0.0 115.073 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 m -143.73 -115.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.245 1.018 . . . . 0.0 110.986 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -49.6 -59.24 3.96 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.884 1.274 . . . . 0.0 111.11 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -54.19 -32.38 55.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.943 0.897 . . . . 0.0 111.933 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.94 64.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.109 0.563 . . . . 0.0 110.843 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -61.08 -47.68 85.21 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.55 -47.86 80.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.471 1.108 . . . . 0.0 110.158 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -57.63 -39.11 76.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.755 0.822 . . . . 0.0 111.101 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.37 -49.15 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 118.728 0.694 . . . . 0.0 110.723 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -56.87 -37.16 70.95 Favored 'General case' 0 C--N 1.337 0.053 0 C-N-CA 122.711 0.404 . . . . 0.0 111.258 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -68.52 -57.11 6.27 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.9 tp -49.19 -39.6 30.15 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.933 1.693 . . . . 0.0 110.915 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.7 mtt -66.12 -58.23 5.91 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.2 -41.79 84.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.245 0.618 . . . . 0.0 111.531 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.6 p -69.17 -51.11 41.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.986 0.514 . . . . 0.0 110.799 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 122.058 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_