data_2lu6_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 2lu6 _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 ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.433 ' HG3' ' H ' ' 1' ' 9' ' ' ASP . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' 1' ' 8' ' ' ARG . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' 1' ' 10' ' ' HIS . 0.2 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.433 ' HG3' ' H ' ' 1' ' 9' ' ' ASP . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' 1' ' 8' ' ' ARG . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' 1' ' 10' ' ' HIS . 0.2 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' 1' ' 13' ' ' CYS . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' 1' ' 1' ' ' CYS . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' 1' ' 12' ' ' ARG . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' 1' ' 12' ' ' ARG . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' 1' ' 12' ' ' ARG . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . 0.515 ' H ' ' CD2' ' 1' ' 10' ' ' HIS . 0.2 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.489 -1.388 0 CA-C-O 120.2 0.048 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.69 68.62 10.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.256 1.503 . . . . 0.0 108.246 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.52 58.03 4.72 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.852 -1.78 . . . . 0.0 109.051 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 28.4 m -89.88 165.04 14.35 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.141 1.377 . . . . 0.0 107.71 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -63.98 -37.75 88.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.592 -1.943 . . . . 0.0 113.772 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -95.84 54.53 1.52 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.981 -1.699 . . . . 0.0 111.477 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.58 86.98 3.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 119.614 -1.929 . . . . 0.0 113.63 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -78.33 -38.05 43.1 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.276 -1.515 . . . . 0.0 113.469 -174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 174.82 1.7 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.391 2.276 . . . . 0.0 115.675 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -73.44 -24.27 60.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.222 -1.549 . . . . 0.0 113.82 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -66.81 59.46 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.976 2.11 . . . . 0.0 114.515 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -99.55 64.2 1.29 Allowed 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 123.797 1.76 . . . . 0.0 108.132 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.01 -2.69 48.98 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.72 -1.863 . . . . 0.0 114.275 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--O 1.26 1.632 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -173.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.89 26.87 5.36 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.698 -1.876 . . . . 0.0 112.288 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 t -62.85 -45.73 91.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 66.0 m -66.46 145.27 55.85 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 120.49 -1.381 . . . . 0.0 114.19 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -75.16 -5.15 42.85 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -160.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -64.37 -27.68 69.18 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 165.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.41 -151.59 0.29 Allowed 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.795 -1.815 . . . . 0.0 110.397 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -82.16 145.11 30.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.431 -2.043 . . . . 0.0 113.748 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.18 -56.47 20.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 127.625 2.37 . . . . 0.0 116.58 -169.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -70.75 -27.08 63.68 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-O 122.526 1.155 . . . . 0.0 112.649 -165.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -82.83 58.84 4.51 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 124.927 1.291 . . . . 0.0 113.855 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -87.45 77.11 8.91 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 120.523 -1.361 . . . . 0.0 109.018 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.14 -9.78 56.7 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.516 -1.99 . . . . 0.0 115.547 -173.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.634 0 C-N-CA 127.016 2.126 . . . . 0.0 114.022 -177.703 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.49 -1.34 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.262 0.3 OUTLIER -81.73 70.11 8.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-O 123.385 1.564 . . . . 0.0 109.834 176.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.1 t -77.53 76.99 4.06 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.507 1.923 . . . . 0.0 107.3 161.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -96.41 133.96 40.17 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.813 -1.179 . . . . 0.0 110.003 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -84.16 -46.57 11.77 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -85.37 -64.82 1.09 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.221 -1.549 . . . . 0.0 112.566 -175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.22 84.57 5.67 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.192 -1.567 . . . . 0.0 108.639 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -73.63 138.63 44.94 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -165.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -102.13 162.56 12.82 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.208 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.71 -31.73 61.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -78.09 93.6 4.55 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 110.165 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -99.09 67.97 1.65 Allowed 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.776 -1.828 . . . . 0.0 109.059 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.05 26.07 0.77 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.29 -2.132 . . . . 0.0 114.299 -175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.26 1.652 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -165.185 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.25 52.91 2.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.398 -1.439 . . . . 0.0 109.632 177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 38.8 t -81.13 70.33 7.94 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.951 -1.718 . . . . 0.0 110.459 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -79.22 152.34 30.68 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.122 -1.611 . . . . 0.0 109.783 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.42 -45.42 62.75 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.163 -1.585 . . . . 0.0 111.051 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -91.08 -73.09 0.55 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.64 54.1 1.31 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.006 -2.309 . . . . 0.0 110.021 -168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -69.04 159.27 33.16 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.498 -1.376 . . . . 0.0 113.051 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -95.85 -141.81 0.27 Allowed 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.036 0.922 . . . . 0.0 112.293 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -90.41 -27.23 19.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.092 -1.63 . . . . 0.0 111.751 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -73.9 102.58 4.13 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -165.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -98.68 76.07 2.18 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.38 -2.075 . . . . 0.0 110.301 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -97.81 3.43 49.95 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.836 -1.79 . . . . 0.0 113.252 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.261 1.666 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -157.293 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 CA--C 1.491 -1.318 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -84.94 59.06 5.37 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.905 -1.747 . . . . 0.0 111.558 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.2 50.72 1.47 Allowed 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.791 2.036 . . . . 0.0 109.314 170.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 12.8 p -85.39 156.82 20.7 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.011 -1.681 . . . . 0.0 110.08 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.76 -37.21 86.51 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 119.555 -1.965 . . . . 0.0 113.457 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -93.16 47.18 1.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.002 1.321 . . . . 0.0 111.851 170.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.06 93.98 9.6 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 119.473 -2.017 . . . . 0.0 112.548 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.46 -34.38 20.1 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.9 1.28 . . . . 0.0 111.388 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -66.35 172.1 4.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.522 1.929 . . . . 0.0 115.533 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -27.76 43.04 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -74.66 55.38 0.66 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 120.107 1.322 . . . . 0.0 113.949 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 -103.16 59.3 0.76 Allowed 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 90.72 4.82 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.429 -1.42 . . . . 0.0 111.134 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.26 1.605 0 O-C-N 120.576 -1.328 . . . . 0.0 110.305 178.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.357 0 CA-C-O 119.826 -0.13 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.25 39.4 m-80 -84.9 55.37 3.44 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.604 -1.935 . . . . 0.0 112.56 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 33.8 t -98.52 63.47 1.48 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.629 1.572 . . . . 0.0 111.164 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -88.41 166.76 14.02 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.822 -1.174 . . . . 0.0 108.027 164.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.38 -46.76 88.82 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 119.834 -1.791 . . . . 0.0 113.8 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -79.16 50.05 1.02 Allowed 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 120.002 -1.687 . . . . 0.0 113.334 168.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.17 98.79 10.67 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.76 -1.838 . . . . 0.0 109.84 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 ptt85 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 121.018 -1.051 . . . . 0.0 110.845 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.5 162.27 23.62 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 125.591 1.557 . . . . 0.0 114.668 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -68.5 -19.14 64.51 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.254 1.422 . . . . 0.0 114.49 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -72.76 55.75 0.39 Allowed 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 127.458 2.303 . . . . 0.0 115.071 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -93.61 66.19 3.78 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.144 1.449 . . . . 0.0 108.642 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.02 50.55 1.8 Allowed 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.475 -2.016 . . . . 0.0 111.457 -169.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.261 1.696 0 O-C-N 119.315 -2.116 . . . . 0.0 112.69 -164.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.491 -1.296 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.17 59.17 3.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 123.083 1.421 . . . . 0.0 111.273 -164.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 46.3 t -83.61 83.01 8.06 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.656 -1.277 . . . . 0.0 110.585 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -91.19 109.64 20.91 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.569 -1.957 . . . . 0.0 110.614 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -67.72 -33.59 75.19 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 125.82 1.648 . . . . 0.0 114.752 -169.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -57.91 -31.19 66.55 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.92 -111.26 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.745 -1.222 . . . . 0.0 112.106 -173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -81.87 164.98 21.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.146 -1.596 . . . . 0.0 112.068 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.59 -46.78 16.63 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.151 -0.968 . . . . 0.0 113.535 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -35.16 104.5 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.844 2.457 . . . . 0.0 116.486 -163.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 60.8 m -53.41 100.98 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -80.95 -163.7 0.63 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.169 -1.582 . . . . 0.0 107.735 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 65.91 0.68 Allowed 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 117.325 -3.359 . . . . 0.0 113.499 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.26 1.645 0 O-C-N 119.119 -2.238 . . . . 0.0 113.897 -173.099 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -91.91 57.08 3.07 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.025 -1.672 . . . . 0.0 109.498 -172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 57.79 4.69 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 123.407 1.575 . . . . 0.0 109.782 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -92.32 170.62 9.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.382 -1.449 . . . . 0.0 108.71 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.65 -40.56 88.72 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.484 -2.01 . . . . 0.0 112.519 -175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.51 51.98 2.32 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.835 -1.166 . . . . 0.0 111.954 168.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.16 84.55 7.01 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 118.884 -2.385 . . . . 0.0 111.183 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -87.39 -30.42 20.76 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.191 0.996 . . . . 0.0 112.044 -176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -67.31 174.55 3.2 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.49 1.516 . . . . 0.0 112.832 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -92.13 -6.86 50.01 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.842 -1.786 . . . . 0.0 113.45 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -82.51 62.83 6.37 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.599 1.19 . . . . 0.0 111.869 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -99.09 69.38 1.73 Allowed 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.273 -1.517 . . . . 0.0 110.191 -170.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 64.13 8.45 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.451 -2.031 . . . . 0.0 112.375 -176.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 119.235 -2.166 . . . . 0.0 114.681 -168.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.491 -1.318 0 CA-C-O 120.371 0.129 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -85.5 68.27 10.38 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.495 -1.378 . . . . 0.0 108.923 170.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -77.78 85.39 4.07 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.829 -1.169 . . . . 0.0 108.91 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -74.49 143.02 44.78 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.768 -1.832 . . . . 0.0 110.391 167.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.64 -41.56 75.43 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 -154.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -47.36 -42.16 21.06 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.45 87.42 0.88 Allowed 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.714 -1.866 . . . . 0.0 113.396 172.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.19 -17.82 48.35 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 126.229 1.812 . . . . 0.0 112.108 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.77 175.84 4.01 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 113.628 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -84.22 25.96 0.8 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -174.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 40.7 t -74.35 -61.01 2.01 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 119.243 -2.16 . . . . 0.0 112.663 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -89.38 162.65 15.67 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -169.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 33.49 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -162.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.26 1.652 0 O-C-N 120.208 -1.557 . . . . 0.0 114.466 -161.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.254 18.5 m-80 -81.07 72.92 8.12 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.523 -1.36 . . . . 0.0 110.802 -173.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.37 85.79 7.33 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 127.142 2.177 . . . . 0.0 109.758 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 31.7 p -75.66 159.09 31.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.97 -1.707 . . . . 0.0 110.378 169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -60.31 -43.76 96.03 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.831 -1.793 . . . . 0.0 113.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -77.87 54.71 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 123.116 1.436 . . . . 0.0 113.358 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.17 79.17 7.21 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.272 -2.143 . . . . 0.0 112.757 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -66.87 -61.88 1.72 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.734 -1.229 . . . . 0.0 112.901 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.55 144.82 56.75 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 124.524 1.13 . . . . 0.0 112.768 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -85.29 48.85 1.64 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 120.418 -1.427 . . . . 0.0 113.197 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 56.1 p -92.66 -30.99 15.29 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 126.363 1.865 . . . . 0.0 112.321 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -90.59 156.1 18.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.84 46.09 1.22 Allowed 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 119.143 -2.223 . . . . 0.0 112.242 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.261 1.679 0 O-C-N 119.472 -2.017 . . . . 0.0 113.71 -172.705 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.49 -1.348 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.96 65.83 7.67 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.937 -1.727 . . . . 0.0 110.239 -169.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -90.88 71.68 6.53 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.788 -1.82 . . . . 0.0 110.711 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -92.53 179.96 5.36 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.297 -1.502 . . . . 0.0 110.024 167.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -95.13 -33.59 12.59 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -62.49 -56.51 17.42 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 121.339 1.881 . . . . 0.0 115.438 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 100.23 8.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.953 -1.717 . . . . 0.0 110.785 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -82.94 -40.43 20.11 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.948 2.499 . . . . 0.0 111.162 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.14 -46.53 73.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.34 1.056 . . . . 0.0 113.089 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.4 82.75 0.09 Allowed 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.585 1.554 . . . . 0.0 112.473 -168.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 23.7 p -21.19 79.82 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 130.603 3.561 . . . . 0.0 118.34 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -78.66 146.33 34.1 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.576 -1.953 . . . . 0.0 111.146 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 83.58 4.14 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.587 -1.321 . . . . 0.0 108.79 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.26 1.641 0 O-C-N 119.784 -1.822 . . . . 0.0 113.074 -174.83 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 t . . . . . 0 CA--C 1.49 -1.339 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.71 56.88 4.1 Favored 'General case' 0 N--CA 1.429 -1.49 0 O-C-N 119.817 -1.802 . . . . 0.0 112.333 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 44.3 t -81.15 64.64 5.97 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.172 -1.58 . . . . 0.0 108.931 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 171.34 14.01 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.712 -1.868 . . . . 0.0 109.179 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -71.82 -46.32 58.51 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.887 -1.758 . . . . 0.0 112.451 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -87.33 65.28 8.66 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.99 -1.069 . . . . 0.0 111.095 174.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.11 111.52 18.97 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 118.506 -2.622 . . . . 0.0 111.404 169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -70.47 -45.47 65.66 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 122.751 1.262 . . . . 0.0 111.65 169.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.77 141.59 28.64 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 125.036 1.334 . . . . 0.0 110.728 -172.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.86 8.87 35.3 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.429 -1.419 . . . . 0.0 114.237 -171.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 33.7 p -73.77 -8.6 56.64 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' 1' ' 12' ' ' ARG . 0.0 OUTLIER -61.78 144.59 54.51 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -167.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.38 82.08 2.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.274 -1.516 . . . . 0.0 109.706 -176.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.26 1.628 0 O-C-N 120.447 -1.408 . . . . 0.0 111.781 -179.723 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.491 -1.321 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.65 66.17 9.43 Favored 'General case' 0 N--CA 1.429 -1.508 0 O-C-N 120.282 -1.511 . . . . 0.0 108.628 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 47.5 t -91.0 53.01 2.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.512 -1.993 . . . . 0.0 109.646 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 9.4 p -94.75 159.66 14.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 129.878 3.271 . . . . 0.0 109.695 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -72.93 -43.75 62.01 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.96 -1.712 . . . . 0.0 111.332 174.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -82.79 65.15 7.78 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.426 1.108 . . . . 0.0 112.131 164.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 101.28 7.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.326 -2.109 . . . . 0.0 109.014 157.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -69.17 -27.15 65.27 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.937 1.351 . . . . 0.0 112.479 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.4 164.14 27.08 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.407 1.883 . . . . 0.0 112.552 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . 0.515 ' H ' ' CD2' ' 1' ' 10' ' ' HIS . 0.2 OUTLIER -80.18 -29.6 38.72 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.595 -1.316 . . . . 0.0 112.619 177.522 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -78.41 90.13 4.42 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.489 -1.382 . . . . 0.0 113.419 -175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -92.67 82.9 4.79 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.56 1.544 . . . . 0.0 108.787 171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -1.68 53.64 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.058 -1.651 . . . . 0.0 114.281 -159.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.26 1.647 0 C-N-CA 129.813 3.245 . . . . 0.0 116.621 -164.619 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.49 -1.329 0 CA-C-O 121.97 0.89 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.97 49.94 1.92 Allowed 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.751 -1.218 . . . . 0.0 109.846 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.45 60.7 3.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 119.838 -1.789 . . . . 0.0 108.826 167.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 7.0 t -97.62 -176.84 3.6 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.545 -1.347 . . . . 0.0 108.188 172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -71.56 -40.53 69.92 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.014 -1.679 . . . . 0.0 112.784 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -79.62 48.59 0.94 Allowed 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 119.858 -1.776 . . . . 0.0 114.329 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 95.17 9.94 Favored 'General case' 0 CA--C 1.489 -1.376 0 O-C-N 119.7 -1.875 . . . . 0.0 111.395 170.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -81.39 -37.42 28.2 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 128.162 2.585 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -65.46 153.03 42.51 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 124.794 1.238 . . . . 0.0 112.056 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -79.84 -48.15 13.99 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.165 -1.584 . . . . 0.0 112.559 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 34.6 p -77.43 82.1 3.89 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.904 -1.123 . . . . 0.0 113.005 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -86.88 153.08 21.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.569 -1.332 . . . . 0.0 110.003 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.36 13.39 19.58 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 119.276 -2.14 . . . . 0.0 112.785 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.26 1.618 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -167.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -90.48 52.46 2.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.494 -2.004 . . . . 0.0 111.27 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.85 75.23 6.56 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 125.311 1.445 . . . . 0.0 112.16 -175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 19.2 m -94.86 159.29 15.11 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.401 1.08 . . . . 0.0 110.985 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -60.48 -42.39 96.19 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.379 1.872 . . . . 0.0 112.893 177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -73.55 62.03 0.74 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.214 1.406 . . . . 0.0 111.994 171.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.12 97.75 4.18 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 119.581 -1.949 . . . . 0.0 110.539 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -82.79 -44.44 15.53 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.633 1.973 . . . . 0.0 108.96 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.8 150.44 24.56 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 124.637 1.175 . . . . 0.0 109.67 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.75 -18.93 60.92 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.712 -1.868 . . . . 0.0 113.407 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 10.3 m -74.18 51.42 0.42 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.655 2.382 . . . . 0.0 115.63 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.73 141.49 28.46 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.796 -1.19 . . . . 0.0 112.41 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -98.6 -2.96 37.3 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.777 -1.827 . . . . 0.0 113.43 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.261 1.672 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -154.278 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . 0.271 8.6 m-80 -86.18 56.34 3.94 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 112.96 -174.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -87.05 51.0 2.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.35 1.547 . . . . 0.0 108.757 154.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 13.0 p -90.34 166.04 13.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 126.425 1.89 . . . . 0.0 108.081 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -63.28 -33.74 76.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.413 -2.054 . . . . 0.0 113.62 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.41 71.91 3.2 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.99 100.96 13.68 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.499 -2.001 . . . . 0.0 109.956 175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -95.59 -43.68 7.83 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 123.143 1.449 . . . . 0.0 112.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.24 170.48 16.03 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 123.286 1.517 . . . . 0.0 112.882 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -75.71 -12.09 60.12 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.697 1.999 . . . . 0.0 113.257 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -76.43 61.38 1.71 Allowed 'General case' 0 CA--C 1.489 -1.378 0 C-N-CA 128.278 2.631 . . . . 0.0 112.419 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -107.49 63.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 120.019 -1.676 . . . . 0.0 109.77 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.59 76.42 6.21 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.997 -1.689 . . . . 0.0 112.256 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 119.85 -1.781 . . . . 0.0 111.701 179.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 57.92 3.79 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.457 -1.402 . . . . 0.0 111.578 -170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 50.0 t -89.76 68.88 7.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.998 -1.689 . . . . 0.0 110.106 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.0 t -93.21 -164.81 1.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.851 -1.781 . . . . 0.0 110.289 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.98 -39.51 93.59 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.889 -1.757 . . . . 0.0 113.798 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.72 70.22 3.48 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.495 -1.378 . . . . 0.0 109.655 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.92 81.27 5.7 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.761 -2.462 . . . . 0.0 112.479 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -92.47 -27.15 17.63 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.35 1.46 . . . . 0.0 113.447 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.12 158.2 26.53 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.419 1.887 . . . . 0.0 112.947 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -78.82 -10.72 59.88 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.208 -1.557 . . . . 0.0 112.718 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -81.42 62.23 5.22 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 125.153 1.381 . . . . 0.0 113.837 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -87.41 90.41 8.36 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 118.979 -2.326 . . . . 0.0 110.494 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.03 33.57 2.57 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 119.522 -1.986 . . . . 0.0 111.896 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.26 1.612 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -165.791 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.488 -1.408 0 CA-C-O 120.991 0.424 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.15 7.47 44.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.336 -1.478 . . . . 0.0 111.224 -175.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 24.6 t -85.06 23.58 1.21 Allowed 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.048 -1.658 . . . . 0.0 111.569 164.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 22.5 t -86.76 -174.34 4.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 127.353 2.261 . . . . 0.0 109.142 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -67.57 -37.88 83.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.573 -1.955 . . . . 0.0 112.52 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -73.72 55.55 0.52 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.882 1.673 . . . . 0.0 113.252 170.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.56 88.48 5.9 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 119.621 -1.924 . . . . 0.0 110.505 171.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -79.71 -48.42 13.69 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.338 1.455 . . . . 0.0 110.57 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.45 160.11 14.8 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.606 0.717 . . . . 0.0 110.117 -173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -70.06 -24.21 63.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -80.82 63.85 5.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 124.805 1.242 . . . . 0.0 114.306 -174.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -83.02 153.62 24.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.797 -1.814 . . . . 0.0 111.847 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.26 -3.76 59.05 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.347 -2.096 . . . . 0.0 115.756 -168.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.26 1.64 0 C-N-CA 123.969 0.908 . . . . 0.0 111.074 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.489 -1.365 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' 1' 1 ' 2' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -83.98 61.22 6.3 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.717 -1.864 . . . . 0.0 110.426 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 t -85.46 59.95 5.95 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.538 1.535 . . . . 0.0 109.693 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 4' ' ' SER . . . . . . . . . . . . . 6.9 m -78.93 174.8 11.15 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 128.193 2.597 . . . . 0.0 109.005 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -66.44 -43.66 84.99 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 119.512 -1.992 . . . . 0.0 114.329 -171.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -78.65 66.91 4.28 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.041 -1.662 . . . . 0.0 110.585 163.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.66 85.06 3.31 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.196 -2.19 . . . . 0.0 111.642 170.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 ptm85 -91.51 -25.81 19.08 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-O 122.738 1.256 . . . . 0.0 113.513 -172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -76.32 165.12 25.31 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.999 1.32 . . . . 0.0 112.079 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -71.44 -26.11 62.6 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 113.285 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 11' ' ' SER . . . . . . . . . . . . . 47.2 m -65.27 71.97 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 126.809 2.044 . . . . 0.0 113.427 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 12' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -103.51 64.21 0.81 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 119.897 -1.752 . . . . 0.0 108.098 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 14.3 1.47 Allowed 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 115.315 -167.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.26 1.625 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -153.146 . . . . . . . . 0 0 . 1 stop_ save_