data_5lff_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 5lff _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 CA--C 1.553 1.078 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.37 75.17 7.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.445 170.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t 63.76 169.03 0.16 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -66.18 -62.7 1.34 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.065 -1.022 . . . . 0.0 111.554 151.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.251 19.6 p90 -160.85 -61.54 0.06 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.511 1.124 . . . . 0.0 109.172 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -106.82 115.21 29.8 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.032 0.933 . . . . 0.0 108.724 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 1 C--O 1.355 6.624 0 CA-C-O 123.451 1.596 . . . . 0.0 107.392 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.55 86.17 6.84 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 170.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 t 57.91 168.34 0.05 OUTLIER 'General case' 0 CA--C 1.593 2.601 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -84.56 -58.69 2.63 Favored 'General case' 0 C--N 1.374 1.673 0 O-C-N 119.877 -1.764 . . . . 0.0 111.088 160.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -143.98 -64.35 0.37 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 119.926 1.239 . . . . 0.0 111.602 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -116.64 118.24 32.05 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-N 119.654 1.116 . . . . 0.0 113.182 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m . . . . . 1 C--O 1.355 6.635 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.565 0.221 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.28 83.53 3.06 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 119.935 -1.728 . . . . 0.0 113.142 168.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.348 17.5 t 60.77 -142.6 0.51 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -135.04 -60.79 0.76 Allowed 'General case' 0 CA--C 1.571 1.782 0 O-C-N 120.228 -1.545 . . . . 0.0 108.862 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 7.4 p90 -129.94 -62.0 0.97 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 118.842 0.746 . . . . 0.0 110.031 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -141.58 119.78 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 m . . . . . 1 C--O 1.355 6.632 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.621 0.248 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.98 72.57 10.06 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-O 121.887 0.851 . . . . 0.0 112.949 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.3 13.3 t 70.29 -137.77 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 126.079 1.751 . . . . 0.0 114.055 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -140.89 -61.94 0.49 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.292 4.0 p90 -127.64 -54.48 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.951 -1.718 . . . . 0.0 113.259 160.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -138.57 116.3 11.46 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.917 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 CA--C 1.563 1.444 0 CA-C-O 121.539 0.685 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.5 86.21 5.98 Favored 'General case' 0 CA--C 1.587 2.379 0 O-C-N 120.506 -1.371 . . . . 0.0 111.708 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t 68.67 -175.81 0.2 Allowed 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -101.21 -61.27 1.39 Allowed 'General case' 0 CA--C 1.567 1.622 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.082 162.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -138.54 -69.19 0.44 Allowed 'General case' 0 CA--C 1.586 2.329 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -111.33 130.83 55.55 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.639 1.176 . . . . 0.0 110.575 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 . . . . . 0 CA--C 1.574 1.886 0 CA-C-O 123.068 1.413 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 73.14 5.85 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.588 -1.32 . . . . 0.0 114.233 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.251 5.8 t 70.71 174.01 0.3 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -78.96 -62.05 1.82 Allowed 'General case' 0 N--CA 1.517 2.882 0 O-C-N 120.085 -1.635 . . . . 0.0 112.371 161.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.253 47.2 p90 -145.66 -60.64 0.33 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 125.457 1.503 . . . . 0.0 110.384 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -116.5 131.5 56.93 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.147 1.451 . . . . 0.0 109.492 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 1 C--O 1.355 6.644 0 O-C-N 120.971 -1.08 . . . . 0.0 108.502 165.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.555 0.217 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 77.41 6.31 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 122.721 1.248 . . . . 0.0 112.519 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.2 t 64.92 149.93 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -65.65 -58.74 5.0 Favored 'General case' 0 N--CA 1.511 2.607 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 163.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -153.32 -64.29 0.15 Allowed 'General case' 0 CA--C 1.573 1.844 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.258 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -115.04 120.45 39.89 Favored 'General case' 0 N--CA 1.5 2.058 0 CA-C-N 119.762 1.165 . . . . 0.0 108.318 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 1 C--O 1.355 6.613 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.291 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 CA--C 1.569 1.692 0 CA-C-O 121.898 0.856 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 78.26 9.15 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 119.987 -1.696 . . . . 0.0 112.014 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t 65.02 174.08 0.21 Allowed 'General case' 0 CA--C 1.596 2.746 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -77.42 -51.18 11.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.283 -1.511 . . . . 0.0 113.12 156.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.285 45.7 p90 -154.39 -67.61 0.14 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.907 1.683 . . . . 0.0 108.364 171.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -112.35 118.74 36.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.028 0.531 . . . . 0.0 109.853 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 1 C--O 1.355 6.614 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.45 172.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.051 -0.5 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.22 83.15 6.13 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.269 8.5 t 69.18 173.57 0.29 Allowed 'General case' 0 CA--C 1.575 1.928 0 CA-C-N 113.565 -1.652 . . . . 0.0 114.797 -173.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -82.6 -60.07 2.31 Favored 'General case' 0 CA--C 1.586 2.346 0 O-C-N 121.265 -0.897 . . . . 0.0 110.658 153.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.33 43.1 p90 -150.97 -61.3 0.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.618 -1.301 . . . . 0.0 111.53 175.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -113.08 114.92 27.52 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.01 0.924 . . . . 0.0 110.638 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 1 C--O 1.355 6.628 0 O-C-N 124.507 1.13 . . . . 0.0 108.283 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 CA--C 1.576 1.95 0 CA-C-O 122.298 1.047 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.92 74.14 10.2 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 120.576 -1.327 . . . . 0.0 114.165 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.254 9.9 t 71.93 163.68 0.27 Allowed 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 174.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -71.36 -60.3 2.31 Favored 'General case' 0 CA--C 1.59 2.516 0 O-C-N 121.019 -1.05 . . . . 0.0 112.138 157.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -151.32 -71.41 0.16 Allowed 'General case' 0 CA--C 1.585 2.29 0 C-N-CA 124.707 1.203 . . . . 0.0 109.178 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -110.0 114.17 27.48 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 123.376 1.56 . . . . 0.0 110.585 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 1 C--O 1.355 6.635 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.349 168.188 . . . . . . . . 1 1 . 1 stop_ save_