data_2ifj_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 2ifj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t . . . . . 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t . . . . . 0 CA--C 1.574 1.875 0 CA-C-O 122.078 0.942 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t . . . . . 0 CA--C 1.572 1.82 0 CA-C-O 121.132 0.491 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t . . . . . 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 121.072 0.463 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t . . . . . 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 CA--C 1.562 1.431 0 CA-C-O 121.208 0.528 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.566 1.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t . . . . . 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 113.663 0.225 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t -90.97 84.85 5.81 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 171.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t -86.01 71.16 10.63 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t -90.94 71.02 6.46 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 121.589 -0.948 . . . . 0.0 112.251 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 114.844 0.698 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t -86.97 90.06 8.21 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 124.022 0.929 . . . . 0.0 111.293 175.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 114.039 0.376 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t -80.1 84.84 5.75 Favored 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 123.704 0.802 . . . . 0.0 112.553 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 114.454 0.542 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t -78.15 84.82 4.36 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 168.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t -87.19 73.3 9.78 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 122.86 0.464 . . . . 0.0 111.918 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 CA-C-O 119.823 -0.431 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t -84.6 88.97 7.37 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -78.5 81.52 4.83 Favored 'General case' 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 113.864 0.306 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t -82.9 100.59 10.47 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 117.358 0.579 . . . . 0.0 111.918 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.39 93.67 4.11 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 115.332 0.893 . . . . 0.0 115.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.31 112.97 21.28 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 123.755 0.822 . . . . 0.0 112.839 -174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 114.372 0.509 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t -138.77 84.97 2.05 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 170.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 113.582 0.193 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t -90.47 76.95 6.58 Favored 'General case' 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 115.366 0.907 . . . . 0.0 115.366 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t -114.27 70.38 0.73 Allowed 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.086 0 N-CA-C 113.522 0.169 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -90.46 76.26 6.67 Favored 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 169.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t . . . . . 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t . . . . . 0 CA--C 1.574 1.875 0 CA-C-O 122.078 0.942 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t . . . . . 0 CA--C 1.572 1.82 0 CA-C-O 121.132 0.491 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t . . . . . 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 121.072 0.463 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t . . . . . 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 CA--C 1.562 1.431 0 CA-C-O 121.208 0.528 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.566 1.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t . . . . . 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 113.663 0.225 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t -90.97 84.85 5.81 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 171.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t -86.01 71.16 10.63 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t -90.94 71.02 6.46 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 121.589 -0.948 . . . . 0.0 112.251 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 114.844 0.698 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t -86.97 90.06 8.21 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 124.022 0.929 . . . . 0.0 111.293 175.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 114.039 0.376 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t -80.1 84.84 5.75 Favored 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 123.704 0.802 . . . . 0.0 112.553 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 114.454 0.542 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t -78.15 84.82 4.36 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 168.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t -87.19 73.3 9.78 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 122.86 0.464 . . . . 0.0 111.918 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 CA-C-O 119.823 -0.431 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t -84.6 88.97 7.37 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -78.5 81.52 4.83 Favored 'General case' 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 113.864 0.306 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t -82.9 100.59 10.47 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 117.358 0.579 . . . . 0.0 111.918 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.39 93.67 4.11 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 115.332 0.893 . . . . 0.0 115.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.31 112.97 21.28 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 123.755 0.822 . . . . 0.0 112.839 -174.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 114.372 0.509 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t -138.77 84.97 2.05 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 170.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 113.582 0.193 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t -90.47 76.95 6.58 Favored 'General case' 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 115.366 0.907 . . . . 0.0 115.366 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t -114.27 70.38 0.73 Allowed 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.086 0 N-CA-C 113.522 0.169 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -90.46 76.26 6.67 Favored 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 169.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t . . . . . 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t . . . . . 0 CA--C 1.574 1.875 0 CA-C-O 122.078 0.942 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t . . . . . 0 CA--C 1.572 1.82 0 CA-C-O 121.132 0.491 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t . . . . . 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 121.072 0.463 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t . . . . . 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 CA--C 1.562 1.431 0 CA-C-O 121.208 0.528 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.566 1.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t . . . . . 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 113.663 0.225 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 4.3 t -90.97 84.85 5.81 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 121.22 0.533 . . . . 0.0 109.912 171.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -85.95 146.19 26.8 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -165.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.8 m -69.71 -36.81 76.24 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 147.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.78 118.84 8.25 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.72 1.146 . . . . 0.0 113.193 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.96 -7.57 23.25 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 119.064 2.987 . . . . 0.0 119.064 -148.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.284 0.1 OUTLIER -134.55 27.86 3.67 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 170.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.3 p -104.06 27.33 7.76 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.768 -2.457 . . . . 0.0 114.627 124.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.49 84.39 5.96 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 123.778 1.752 . . . . 0.0 113.411 -169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 48.2 t-105 -69.65 112.72 6.32 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.478 136.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -91.39 91.17 8.01 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -157.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m . . . . . 0 CA--C 1.565 1.531 0 CA-C-O 125.101 2.381 . . . . 0.0 112.955 171.015 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.9 t -86.01 71.16 10.63 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 121.872 0.844 . . . . 0.0 112.775 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.8 m -73.5 149.09 42.54 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.9 m -74.1 -31.81 62.96 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 155.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.23 129.37 37.35 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 121.069 -1.02 . . . . 0.0 113.433 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -64.98 -9.98 25.85 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 -155.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -136.33 55.05 1.86 Allowed 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 161.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.21 35.14 4.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 118.145 -2.847 . . . . 0.0 114.755 105.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.56 90.05 7.57 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 123.5 1.619 . . . . 0.0 113.948 -167.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.449 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.5 t-105 -77.75 116.82 18.57 Favored 'General case' 0 CA--C 1.568 1.646 0 O-C-N 120.715 -1.24 . . . . 0.0 108.209 139.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -89.05 84.48 6.58 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -151.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 125.014 2.34 . . . . 0.0 113.941 166.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 115.756 1.062 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 8.2 t -90.94 71.02 6.46 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 121.589 -0.948 . . . . 0.0 112.251 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -78.93 153.69 30.23 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -158.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -83.31 -30.41 27.55 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 153.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -69.55 123.11 20.45 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-N 119.648 1.113 . . . . 0.0 112.857 167.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -64.65 -15.3 61.07 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 119.374 3.101 . . . . 0.0 119.374 -154.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -125.62 43.8 2.98 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.106 2.261 . . . . 0.0 117.106 169.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p -120.37 35.16 4.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 118.374 -2.704 . . . . 0.0 114.414 115.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.19 85.78 6.35 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 119.757 -1.84 . . . . 0.0 113.192 -165.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.2 t-105 -72.46 107.71 5.15 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.36 -1.462 . . . . 0.0 107.211 138.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -84.4 92.14 7.97 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 120.832 -1.167 . . . . 0.0 113.452 -156.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 125.047 2.356 . . . . 0.0 113.797 177.432 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 114.844 0.698 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 53.1 t -86.97 90.06 8.21 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 124.022 0.929 . . . . 0.0 111.293 175.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.02 147.37 46.92 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -157.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.3 m -67.24 -30.52 70.44 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 116.593 2.071 . . . . 0.0 116.593 145.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.49 109.32 1.92 Allowed 'General case' 0 CA--C 1.564 1.51 0 O-C-N 121.115 -0.991 . . . . 0.0 113.29 170.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.6 -15.96 22.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -160.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -125.34 43.89 2.94 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 159.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -117.0 29.19 8.06 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 118.24 -2.787 . . . . 0.0 114.881 120.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.45 95.83 6.74 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.984 1.373 . . . . 0.0 113.703 -162.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.9 t90 -61.77 120.28 10.37 Favored 'General case' 0 CA--C 1.573 1.857 0 O-C-N 120.547 -1.345 . . . . 0.0 109.463 129.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -86.79 90.35 8.27 Favored 'General case' 0 CA--C 1.567 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 112.717 -165.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.319 2.485 . . . . 0.0 113.882 179.146 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 114.039 0.376 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 47.2 t -80.1 84.84 5.75 Favored 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 123.704 0.802 . . . . 0.0 112.553 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -67.59 150.49 48.72 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 -157.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -71.92 -34.62 69.22 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 148.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.14 114.54 3.49 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 123.867 0.867 . . . . 0.0 113.134 169.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -60.97 -21.52 63.59 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 -158.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -125.35 45.75 2.52 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 163.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.41 23.55 13.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 118.734 -2.479 . . . . 0.0 115.534 115.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.74 107.23 19.06 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 120.35 -1.469 . . . . 0.0 113.525 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.444 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 10.3 t-105 -68.88 122.35 18.44 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.855 -1.153 . . . . 0.0 108.465 126.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -84.09 87.27 7.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 112.392 -166.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 125.118 2.389 . . . . 0.0 112.526 178.284 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 114.454 0.542 . . . . 0.0 114.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.8 t -78.15 84.82 4.36 Favored 'General case' 0 CA--C 1.571 1.752 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 168.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.41 147.57 27.06 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 -158.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -68.04 -32.11 72.24 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 146.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.91 116.85 12.78 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 120.095 1.316 . . . . 0.0 112.665 173.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -68.31 -3.32 10.59 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -159.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.52 47.37 2.47 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 157.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.42 21.12 15.49 Favored 'General case' 0 CA--C 1.573 1.847 0 O-C-N 118.678 -2.514 . . . . 0.0 115.78 110.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 97.75 7.28 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.04 -1.662 . . . . 0.0 113.605 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.405 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 6.4 t-105 -69.63 114.99 8.36 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.606 130.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -80.79 103.15 10.44 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 124.593 2.14 . . . . 0.0 113.141 176.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 114.222 0.449 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 5.9 t -87.19 73.3 9.78 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 122.86 0.464 . . . . 0.0 111.918 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.31 150.55 48.09 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -158.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -74.65 -29.4 61.24 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 147.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.34 111.89 2.19 Favored 'General case' 0 CA--C 1.565 1.524 0 O-C-N 120.531 -1.355 . . . . 0.0 113.049 170.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -56.47 -29.53 61.84 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -158.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 1.1 tpm_? -119.73 40.64 3.34 Favored 'General case' 0 CA--C 1.573 1.861 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 167.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.61 23.99 12.95 Favored 'General case' 0 CA--C 1.574 1.883 0 O-C-N 118.77 -2.456 . . . . 0.0 115.744 115.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 90.1 8.27 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 119.923 -1.736 . . . . 0.0 113.274 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.49 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 69.0 t-105 -67.87 107.31 2.59 Favored 'General case' 0 CA--C 1.569 1.711 0 O-C-N 121.291 -0.881 . . . . 0.0 108.971 138.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -86.07 106.91 17.55 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -159.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 124.862 2.268 . . . . 0.0 112.934 172.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 CA-C-O 119.823 -0.431 . . . . 0.0 113.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 16.4 t -84.6 88.97 7.37 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -70.85 149.92 46.31 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.623 2.082 . . . . 0.0 116.623 -167.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -62.4 -37.72 86.86 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 147.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.8 120.29 9.27 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -61.79 -6.02 2.4 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER -134.82 40.88 2.91 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 159.299 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.61 30.36 6.0 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 119.331 -2.106 . . . . 0.0 114.859 126.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.41 100.03 11.26 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 120.235 -1.541 . . . . 0.0 112.642 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 39.0 t-105 -80.7 79.83 7.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.42 -0.8 . . . . 0.0 110.565 160.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -60.49 115.0 3.26 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -139.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 124.139 1.924 . . . . 0.0 110.258 -178.343 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -78.5 81.52 4.83 Favored 'General case' 0 CA--C 1.574 1.874 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.3 m -75.32 151.14 38.3 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -162.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.5 m -74.34 -30.37 61.99 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 150.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.0 119.92 9.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.52 -1.362 . . . . 0.0 113.201 166.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -53.32 -39.77 64.29 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 117.404 2.372 . . . . 0.0 117.404 -164.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.56 50.27 1.02 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 170.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.57 25.3 10.13 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 118.707 -2.496 . . . . 0.0 116.032 114.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.67 103.63 15.56 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 120.259 -1.526 . . . . 0.0 113.675 -168.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.5 t-105 -71.74 132.88 45.14 Favored 'General case' 0 CA--C 1.573 1.85 0 O-C-N 120.864 -1.148 . . . . 0.0 109.116 124.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -101.88 106.28 17.21 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.815 -1.178 . . . . 0.0 112.8 -159.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.5 m . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 125.236 2.446 . . . . 0.0 111.09 175.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 113.864 0.306 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 t -82.9 100.59 10.47 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 117.358 0.579 . . . . 0.0 111.918 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.19 134.18 37.65 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -172.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -66.78 -28.86 68.72 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 149.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.31 127.67 33.34 Favored 'General case' 0 CA--C 1.566 1.587 0 O-C-N 120.855 -1.153 . . . . 0.0 112.505 169.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -54.46 -41.65 69.74 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -155.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 1.5 tpm_? -109.95 45.8 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.35 44.56 2.79 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.647 -1.908 . . . . 0.0 113.384 133.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.26 96.98 5.13 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 120.691 -1.256 . . . . 0.0 112.386 -159.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -83.22 99.81 10.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.434 . . . . 0.0 107.895 151.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -74.43 122.66 23.34 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -146.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.5 m . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 124.578 2.132 . . . . 0.0 111.314 -171.892 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.39 93.67 4.11 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.369 0.604 . . . . 0.0 112.462 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.3 139.12 58.03 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 116.428 2.011 . . . . 0.0 116.428 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.7 m -60.9 -43.9 97.88 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 147.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.6 122.93 17.03 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -54.87 -31.02 59.27 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -153.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.272 0.1 OUTLIER -116.31 27.82 8.98 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -178.377 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 p -117.81 31.77 6.52 Favored 'General case' 0 CA--C 1.576 1.975 0 O-C-N 119.895 -1.753 . . . . 0.0 114.665 130.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 100.21 10.44 Favored 'General case' 0 CA--C 1.556 1.209 0 O-C-N 120.422 -1.423 . . . . 0.0 111.968 -169.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -86.46 86.09 7.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.611 -1.306 . . . . 0.0 108.538 154.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.11 117.16 6.11 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -144.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 124.43 2.062 . . . . 0.0 110.86 -177.597 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 115.332 0.893 . . . . 0.0 115.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.31 112.97 21.28 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 123.755 0.822 . . . . 0.0 112.839 -174.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -78.77 143.59 35.97 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -70.23 -40.41 74.52 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 147.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.34 125.78 25.01 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -66.3 -7.3 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 120.136 3.384 . . . . 0.0 120.136 -146.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.274 2.0 tpm_? -133.28 28.55 4.06 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 118.426 2.75 . . . . 0.0 118.426 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -117.36 37.98 3.71 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.007 -2.308 . . . . 0.0 113.724 131.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.32 86.5 2.32 Favored 'General case' 0 CA--C 1.555 1.167 0 O-C-N 120.884 -1.135 . . . . 0.0 111.755 -165.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -86.85 91.97 8.83 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.884 -1.135 . . . . 0.0 108.541 160.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -73.97 125.31 27.96 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -140.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 124.252 1.977 . . . . 0.0 110.871 -170.441 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 114.372 0.509 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 38.4 t -138.77 84.97 2.05 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 121.899 0.857 . . . . 0.0 109.108 170.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -91.95 149.09 21.73 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -156.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -66.85 -39.02 87.46 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 143.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -55.67 117.24 3.45 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -66.13 -2.08 3.85 Favored 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -168.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -135.64 48.38 2.22 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 157.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 p -123.92 48.88 1.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 118.321 -2.737 . . . . 0.0 111.705 126.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.21 76.29 1.15 Allowed 'General case' 0 CA--C 1.553 1.092 0 O-C-N 120.402 -1.437 . . . . 0.0 114.46 -146.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 3.8 t90 -85.73 104.32 15.33 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 143.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -87.04 97.76 10.9 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -153.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 125.012 2.339 . . . . 0.0 113.776 167.404 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 113.582 0.193 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 13.4 t -90.47 76.95 6.58 Favored 'General case' 0 CA--C 1.57 1.724 0 CA-C-O 121.734 0.778 . . . . 0.0 112.492 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.59 153.84 29.16 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -169.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -77.29 -33.47 55.75 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 145.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -50.98 113.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 168.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.46 -16.56 62.67 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 118.95 2.944 . . . . 0.0 118.95 -151.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.82 52.43 2.08 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 159.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -112.84 21.91 15.01 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 118.178 -2.826 . . . . 0.0 115.862 108.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.4 94.21 6.75 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 119.814 -1.804 . . . . 0.0 115.436 -165.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.465 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 2.2 t90 -77.28 111.4 12.89 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 135.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -81.54 90.43 6.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.879 -1.138 . . . . 0.0 113.726 -161.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 125.1 2.381 . . . . 0.0 112.155 169.114 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 115.366 0.907 . . . . 0.0 115.366 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t -114.27 70.38 0.73 Allowed 'General case' 0 CA--C 1.57 1.713 0 CA-C-O 122.026 0.917 . . . . 0.0 111.293 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.0 m -88.06 156.19 19.42 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.601 2.075 . . . . 0.0 116.601 -164.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.1 m -74.27 -24.52 59.28 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.447 2.017 . . . . 0.0 116.447 149.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.27 114.3 5.23 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.794 1.179 . . . . 0.0 111.456 164.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -64.45 -4.74 4.24 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 118.321 2.711 . . . . 0.0 118.321 -170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.35 58.51 1.77 Allowed 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 123.017 1.389 . . . . 0.0 114.721 153.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -119.9 25.79 9.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 117.686 -3.134 . . . . 0.0 115.881 102.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 106.76 14.01 Favored 'General case' 0 CA--C 1.559 1.319 0 O-C-N 119.778 -1.826 . . . . 0.0 114.123 -167.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -72.02 121.12 18.62 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 122.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -83.19 83.62 7.79 Favored 'General case' 0 CA--C 1.573 1.854 0 O-C-N 120.642 -1.286 . . . . 0.0 112.409 -163.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 124.197 1.951 . . . . 0.0 113.038 173.275 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.086 0 N-CA-C 113.522 0.169 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 10' ' ' TRP . 10.6 t -90.46 76.26 6.67 Favored 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 121.667 0.746 . . . . 0.0 111.219 169.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.2 m -79.46 148.05 32.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -162.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 m -69.75 -33.1 71.97 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 146.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.8 116.23 3.93 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 119.554 1.07 . . . . 0.0 113.795 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -60.74 -21.03 62.54 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 -159.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -129.62 59.17 1.61 Allowed 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 122.808 1.289 . . . . 0.0 114.145 158.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -119.44 33.35 5.67 Favored 'General case' 0 CA--C 1.574 1.879 0 O-C-N 118.242 -2.786 . . . . 0.0 114.917 104.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 96.04 10.39 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-O 123.681 1.705 . . . . 0.0 113.654 -167.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 12.6 t-105 -70.84 110.85 5.84 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.511 -1.368 . . . . 0.0 108.796 130.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 -82.07 88.21 6.44 Favored 'General case' 0 CA--C 1.568 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 113.035 -157.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 124.998 2.332 . . . . 0.0 113.838 168.323 . . . . . . . . 0 0 . 1 stop_ save_