data_1b9g_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 1b9g _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.357 0 CA-C-O 118.107 -1.385 . . . . 12.0 116.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -103.63 -76.68 0.0 OUTLIER 'Trans proline' 0 CA--C 1.558 1.689 0 N-CA-C 117.164 1.948 . . . . 12.0 117.164 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 104.41 101.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.129 3.771 . . . . 12.0 107.252 -158.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.341 13.0 t 57.66 115.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.445 2.698 . . . . 12.0 116.04 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp -167.61 26.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 119.467 3.136 . . . . 12.0 119.467 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 t -64.9 -10.04 25.7 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.282 1.956 . . . . 12.0 116.282 -177.828 168.783 75.035 119.583 109.082 2.046 105.074 -67.471 -71.657 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 67.36 3.18 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 124.043 0.83 . . . . 12.0 111.73 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.04 -43.68 0.39 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.93 2.892 . . . . 12.0 116.893 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.84 -25.61 20.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.477 1.511 . . . . 12.0 114.144 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.44 -37.5 0.69 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.458 1.103 . . . . 12.0 113.679 168.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.6 -39.47 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 124.541 1.137 . . . . 12.0 111.204 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -66.07 -41.18 91.09 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 113.518 0.933 . . . . 12.0 113.518 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.61 77.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.223 1.009 . . . . 12.0 111.995 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tt -52.68 -49.46 65.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.505 1.522 . . . . 12.0 112.411 170.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.37 -10.78 57.41 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 117.773 2.508 . . . . 12.0 117.773 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -27.62 68.85 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.951 0.796 . . . . 12.0 112.004 168.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -96.15 -59.67 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.191 1.397 . . . . 12.0 112.464 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.55 90.15 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 117.658 2.466 . . . . 12.0 117.658 -154.732 -41.911 -56.01 -156.555 107.64 2.039 109.531 113.482 149.384 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.26 80.8 0.11 Allowed Glycine 0 CA--C 1.541 1.672 0 CA-C-N 113.164 -1.834 . . . . 12.0 111.616 170.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.44 -46.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 127.501 2.32 . . . . 12.0 112.093 -169.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.262 4.4 tmm_? -72.24 70.12 0.82 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 103.422 -2.807 . . . . 12.0 103.422 154.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.56 -166.69 12.91 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-N 113.195 -1.82 . . . . 12.0 113.136 -170.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -86.67 -163.54 0.92 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.067 1.136 . . . . 12.0 114.067 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -148.66 138.81 22.36 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.249 -1.76 . . . . 12.0 106.249 156.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.72 126.89 31.13 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.469 1.285 . . . . 12.0 114.469 -165.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 136.26 -21.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 109.624 -3.444 . . . . 12.0 110.346 -158.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -84.78 -8.22 0.12 Allowed Pre-proline 0 N--CA 1.488 1.431 1 N-CA-C 122.415 4.228 . . . . 12.0 122.415 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . 0.336 0.0 OUTLIER 15.36 -168.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 1 C-N-CA 125.579 4.186 . . . . 12.0 122.18 -164.26 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.14 -2.31 66.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 125.482 1.515 . . . . 12.0 116.298 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -68.37 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 117.624 2.453 . . . . 12.0 117.624 -168.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.3 m -44.34 -30.47 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.277 1.431 . . . . 12.0 113.904 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -49.93 -53.58 25.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.614 1.966 . . . . 12.0 112.968 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -65.21 -30.91 71.85 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.087 1.143 . . . . 12.0 114.087 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -63.71 -58.34 7.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.919 0.888 . . . . 12.0 112.963 166.031 163.395 79.796 -107.812 109.428 2.047 105.121 114.324 -167.712 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.8 17.89 1.74 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.991 1.849 . . . . 12.0 115.991 -173.86 -71.657 -67.471 119.583 105.074 2.046 109.082 75.035 168.783 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -63.13 -19.99 64.97 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.215 -0.902 . . . . 12.0 112.142 146.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . 0.412 0.1 OUTLIER 92.39 163.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.873 2.869 . . . . 12.0 116.533 168.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.6 m 51.06 46.58 26.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.245 -1.798 . . . . 12.0 112.764 -151.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 t -37.62 157.85 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.644 -2.071 . . . . 12.0 113.369 173.27 -167.712 114.324 -107.812 105.121 2.047 109.428 79.796 163.395 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -132.49 158.91 40.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.001 2.593 . . . . 12.0 118.001 -152.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.23 140.83 40.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.376 -1.738 . . . . 12.0 108.007 154.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.416 0.0 OUTLIER 62.14 -33.54 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.783 2.883 . . . . 12.0 118.783 -173.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -11.69 60.12 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.556 -0.715 . . . . 12.0 109.096 147.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.25 -44.89 68.52 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.924 -1.11 . . . . 12.0 111.015 155.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -81.22 13.15 3.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.257 -2.247 . . . . 12.0 112.219 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -131.85 13.89 4.82 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.481 1.112 . . . . 12.0 113.62 160.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . 0.374 1.0 OUTLIER -114.82 -35.8 4.69 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 116.278 1.955 . . . . 12.0 116.278 174.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 26.98 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 122.171 0.986 . . . . 12.0 112.02 167.417 149.384 113.482 -156.555 109.531 2.039 107.64 -56.01 -41.911 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 39.94 52.3 4.64 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 117.428 2.381 . . . . 12.0 117.428 -161.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -100.5 140.86 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.615 1.543 . . . . 12.0 113.461 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -96.21 0.06 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 110.633 -2.985 . . . . 12.0 114.715 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.3 0.0 OUTLIER -61.89 -40.02 64.91 Favored Pre-proline 0 N--CA 1.486 1.343 0 N-CA-C 120.742 3.608 . . . . 12.0 120.742 -173.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -5.83 -124.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 126.356 4.704 . . . . 12.0 119.635 -174.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.88 9.14 14.92 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 114.428 1.27 . . . . 12.0 114.428 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.67 -58.22 9.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.323 1.049 . . . . 12.0 108.243 171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 87.13 0.23 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.397 1.479 . . . . 12.0 110.663 162.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 127.978 2.511 . . . . 12.0 116.418 174.664 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.552 2.357 0 CA-C-O 118.107 -1.385 . . . . 12.0 116.548 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.545 ' HD3' ' HB1' ' A' ' 13' ' ' ALA . 51.2 Cg_endo -103.63 -76.68 0.0 OUTLIER 'Trans proline' 0 CA--C 1.558 1.689 0 N-CA-C 117.164 1.948 . . . . 12.0 117.164 -174.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.881 ' HG3' ' HB3' ' A' ' 41' ' ' LEU . 56.5 mt-10 104.41 101.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.129 3.771 . . . . 12.0 107.252 -158.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.341 13.0 t 57.66 115.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.445 2.698 . . . . 12.0 116.04 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' CYS . 3.6 tp -167.61 26.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 119.467 3.136 . . . . 12.0 119.467 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 12.1 t -64.9 -10.04 25.7 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.282 1.956 . . . . 12.0 116.282 -177.828 168.783 75.035 119.583 109.082 2.046 105.074 -67.471 -71.657 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 67.36 3.18 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 124.043 0.83 . . . . 12.0 111.73 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.04 -43.68 0.39 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.93 2.892 . . . . 12.0 116.893 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.8 mt-10 -53.84 -25.61 20.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.477 1.511 . . . . 12.0 114.144 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 HG12 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -40.44 -37.5 0.69 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.458 1.103 . . . . 12.0 113.679 168.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 23.8 t -64.6 -39.47 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 124.541 1.137 . . . . 12.0 111.204 -176.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -66.07 -41.18 91.09 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 113.518 0.933 . . . . 12.0 113.518 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB1' ' HD3' ' A' ' 2' ' ' PRO . . . -65.93 -46.61 77.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.223 1.009 . . . . 12.0 111.995 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 15' ' ' GLN . 1.8 tt -52.68 -49.46 65.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.505 1.522 . . . . 12.0 112.411 170.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' HD23 ' A' ' 14' ' ' LEU . 82.4 mt-30 -68.37 -10.78 57.41 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 117.773 2.508 . . . . 12.0 117.773 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -27.62 68.85 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.951 0.796 . . . . 12.0 112.004 168.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 21' ' ' ARG . 85.9 t -96.15 -59.67 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.191 1.397 . . . . 12.0 112.464 -169.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.55 90.15 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 117.658 2.466 . . . . 12.0 117.658 -154.732 -41.911 -56.01 -156.555 107.64 2.039 109.531 113.482 149.384 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.26 80.8 0.11 Allowed Glycine 0 CA--C 1.541 1.672 0 CA-C-N 113.164 -1.834 . . . . 12.0 111.616 170.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.44 -46.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 127.501 2.32 . . . . 12.0 112.093 -169.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HD2' HG13 ' A' ' 17' ' ' VAL 0.262 4.4 tmm_? -72.24 70.12 0.82 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 103.422 -2.807 . . . . 12.0 103.422 154.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.56 -166.69 12.91 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-N 113.195 -1.82 . . . . 12.0 113.136 -170.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 35.6 p90 -86.67 -163.54 0.92 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.067 1.136 . . . . 12.0 114.067 177.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.622 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 7.3 t80 -148.66 138.81 22.36 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.249 -1.76 . . . . 12.0 106.249 156.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.72 126.89 31.13 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.469 1.285 . . . . 12.0 114.469 -165.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 136.26 -21.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 109.624 -3.444 . . . . 12.0 110.346 -158.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 24' ' ' TYR . 58.2 mtpt -84.78 -8.22 0.12 Allowed Pre-proline 0 N--CA 1.488 1.431 1 N-CA-C 122.415 4.228 . . . . 12.0 122.415 179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' HD13 ' A' ' 30' ' ' ILE 0.336 0.0 OUTLIER 15.36 -168.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 1 C-N-CA 125.579 4.186 . . . . 12.0 122.18 -164.26 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.14 -2.31 66.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 125.482 1.515 . . . . 12.0 116.298 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.603 HG12 ' H ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -90.35 -68.37 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 117.624 2.453 . . . . 12.0 117.624 -168.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' H ' HG12 ' A' ' 30' ' ' ILE . 16.3 m -44.34 -30.47 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.277 1.431 . . . . 12.0 113.904 168.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -49.93 -53.58 25.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.614 1.966 . . . . 12.0 112.968 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -65.21 -30.91 71.85 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.087 1.143 . . . . 12.0 114.087 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -63.71 -58.34 7.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.919 0.888 . . . . 12.0 112.963 166.031 163.395 79.796 -107.812 109.428 2.047 105.121 114.324 -167.712 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.8 17.89 1.74 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.991 1.849 . . . . 12.0 115.991 -173.86 -71.657 -67.471 119.583 105.074 2.046 109.082 75.035 168.783 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -63.13 -19.99 64.97 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.215 -0.902 . . . . 12.0 112.142 146.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 6' ' ' CYS 0.412 0.1 OUTLIER 92.39 163.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.873 2.869 . . . . 12.0 116.533 168.764 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.6 m 51.06 46.58 26.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.245 -1.798 . . . . 12.0 112.764 -151.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 5' ' ' LEU . 17.7 t -37.62 157.85 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.644 -2.071 . . . . 12.0 113.369 173.27 -167.712 114.324 -107.812 105.121 2.047 109.428 79.796 163.395 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 6.4 m-20 -132.49 158.91 40.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.001 2.593 . . . . 12.0 118.001 -152.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.881 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -108.23 140.83 40.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.376 -1.738 . . . . 12.0 108.007 154.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.416 0.0 OUTLIER 62.14 -33.54 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.783 2.883 . . . . 12.0 118.783 -173.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.24 -11.69 60.12 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.556 -0.715 . . . . 12.0 109.096 147.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 2.1 tm? -53.25 -44.89 68.52 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.924 -1.11 . . . . 12.0 111.015 155.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HG2' ' A' ' 50' ' ' PRO . 9.8 mm-40 -81.22 13.15 3.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.257 -2.247 . . . . 12.0 112.219 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -131.85 13.89 4.82 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.481 1.112 . . . . 12.0 113.62 160.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 44' ' ' LEU 0.374 1.0 OUTLIER -114.82 -35.8 4.69 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 116.278 1.955 . . . . 12.0 116.278 174.256 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 26.98 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 122.171 0.986 . . . . 12.0 112.02 167.417 149.384 113.482 -156.555 109.531 2.039 107.64 -56.01 -41.911 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . 39.94 52.3 4.64 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 117.428 2.381 . . . . 12.0 117.428 -161.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' HA ' ' A' ' 45' ' ' GLU . 3.6 Cg_exo -100.5 140.86 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.615 1.543 . . . . 12.0 113.461 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -84.58 -96.21 0.06 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 110.633 -2.985 . . . . 12.0 114.715 175.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 53' ' ' PRO 0.3 0.0 OUTLIER -61.89 -40.02 64.91 Favored Pre-proline 0 N--CA 1.486 1.343 0 N-CA-C 120.742 3.608 . . . . 12.0 120.742 -173.274 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.8 Cg_exo -5.83 -124.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 126.356 4.704 . . . . 12.0 119.635 -174.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.88 9.14 14.92 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 114.428 1.27 . . . . 12.0 114.428 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.67 -58.22 9.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.323 1.049 . . . . 12.0 108.243 171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 87.13 0.23 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.397 1.479 . . . . 12.0 110.663 162.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 127.978 2.511 . . . . 12.0 116.418 174.664 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.552 2.357 0 CA-C-O 118.107 -1.385 . . . . 12.0 116.548 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.545 ' HD3' ' HB1' ' A' ' 13' ' ' ALA . 51.2 Cg_endo -103.63 -76.68 0.0 OUTLIER 'Trans proline' 0 CA--C 1.558 1.689 0 N-CA-C 117.164 1.948 . . . . 12.0 117.164 -174.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.881 ' HG3' ' HB3' ' A' ' 41' ' ' LEU . 56.5 mt-10 104.41 101.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 131.129 3.771 . . . . 12.0 107.252 -158.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.341 13.0 t 57.66 115.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.445 2.698 . . . . 12.0 116.04 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' CYS . 3.6 tp -167.61 26.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 119.467 3.136 . . . . 12.0 119.467 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 12.1 t -64.9 -10.04 25.7 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.282 1.956 . . . . 12.0 116.282 -177.828 168.783 75.035 119.583 109.082 2.046 105.074 -67.471 -71.657 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 67.36 3.18 Favored Glycine 0 N--CA 1.483 1.798 0 C-N-CA 124.043 0.83 . . . . 12.0 111.73 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.04 -43.68 0.39 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.93 2.892 . . . . 12.0 116.893 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.8 mt-10 -53.84 -25.61 20.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.477 1.511 . . . . 12.0 114.144 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 HG12 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -40.44 -37.5 0.69 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.458 1.103 . . . . 12.0 113.679 168.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG12 ' NE2' ' A' ' 15' ' ' GLN . 23.8 t -64.6 -39.47 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 124.541 1.137 . . . . 12.0 111.204 -176.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -66.07 -41.18 91.09 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 113.518 0.933 . . . . 12.0 113.518 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB1' ' HD3' ' A' ' 2' ' ' PRO . . . -65.93 -46.61 77.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.223 1.009 . . . . 12.0 111.995 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 15' ' ' GLN . 1.8 tt -52.68 -49.46 65.23 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.505 1.522 . . . . 12.0 112.411 170.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' HD23 ' A' ' 14' ' ' LEU . 14.0 mt-30 -68.37 -10.78 57.41 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 117.773 2.508 . . . . 12.0 117.773 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -27.62 68.85 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.951 0.796 . . . . 12.0 112.004 168.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 21' ' ' ARG . 85.9 t -96.15 -59.67 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.191 1.397 . . . . 12.0 112.464 -169.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.55 90.15 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 117.658 2.466 . . . . 12.0 117.658 -154.732 -41.911 -56.01 -156.555 107.64 2.039 109.531 113.482 149.384 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.26 80.8 0.11 Allowed Glycine 0 CA--C 1.541 1.672 0 CA-C-N 113.164 -1.834 . . . . 12.0 111.616 170.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.44 -46.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 127.501 2.32 . . . . 12.0 112.093 -169.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HD2' HG13 ' A' ' 17' ' ' VAL 0.262 4.4 tmm_? -72.24 70.12 0.82 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 103.422 -2.807 . . . . 12.0 103.422 154.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.56 -166.69 12.91 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-N 113.195 -1.82 . . . . 12.0 113.136 -170.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 35.6 p90 -86.67 -163.54 0.92 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.067 1.136 . . . . 12.0 114.067 177.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.622 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 7.3 t80 -148.66 138.81 22.36 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.249 -1.76 . . . . 12.0 106.249 156.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.72 126.89 31.13 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.469 1.285 . . . . 12.0 114.469 -165.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 136.26 -21.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 109.624 -3.444 . . . . 12.0 110.346 -158.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 24' ' ' TYR . 58.2 mtpt -84.78 -8.22 0.12 Allowed Pre-proline 0 N--CA 1.488 1.431 1 N-CA-C 122.415 4.228 . . . . 12.0 122.415 179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' HD13 ' A' ' 30' ' ' ILE 0.336 0.0 OUTLIER 15.36 -168.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 1 C-N-CA 125.579 4.186 . . . . 12.0 122.18 -164.26 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.14 -2.31 66.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 125.482 1.515 . . . . 12.0 116.298 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.603 HG12 ' H ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -90.35 -68.37 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 N-CA-C 117.624 2.453 . . . . 12.0 117.624 -168.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' H ' HG12 ' A' ' 30' ' ' ILE . 16.3 m -44.34 -30.47 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.277 1.431 . . . . 12.0 113.904 168.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -49.93 -53.58 25.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.614 1.966 . . . . 12.0 112.968 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -65.21 -30.91 71.85 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.087 1.143 . . . . 12.0 114.087 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -63.71 -58.34 7.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.919 0.888 . . . . 12.0 112.963 166.031 163.395 79.796 -107.812 109.428 2.047 105.121 114.324 -167.712 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.8 17.89 1.74 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.991 1.849 . . . . 12.0 115.991 -173.86 -71.657 -67.471 119.583 105.074 2.046 109.082 75.035 168.783 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -63.13 -19.99 64.97 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.215 -0.902 . . . . 12.0 112.142 146.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 6' ' ' CYS 0.412 0.1 OUTLIER 92.39 163.17 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.873 2.869 . . . . 12.0 116.533 168.764 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.6 m 51.06 46.58 26.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.245 -1.798 . . . . 12.0 112.764 -151.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 5' ' ' LEU . 17.7 t -37.62 157.85 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.644 -2.071 . . . . 12.0 113.369 173.27 -167.712 114.324 -107.812 105.121 2.047 109.428 79.796 163.395 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 6.4 m-20 -132.49 158.91 40.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.001 2.593 . . . . 12.0 118.001 -152.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.881 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -108.23 140.83 40.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.376 -1.738 . . . . 12.0 108.007 154.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.416 0.0 OUTLIER 62.14 -33.54 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.783 2.883 . . . . 12.0 118.783 -173.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.24 -11.69 60.12 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.556 -0.715 . . . . 12.0 109.096 147.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . 2.1 tm? -53.25 -44.89 68.52 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.924 -1.11 . . . . 12.0 111.015 155.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HG2' ' A' ' 50' ' ' PRO . 9.8 mm-40 -81.22 13.15 3.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.257 -2.247 . . . . 12.0 112.219 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -131.85 13.89 4.82 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.481 1.112 . . . . 12.0 113.62 160.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 44' ' ' LEU 0.374 1.0 OUTLIER -114.82 -35.8 4.69 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 116.278 1.955 . . . . 12.0 116.278 174.256 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 26.98 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 122.171 0.986 . . . . 12.0 112.02 167.417 149.384 113.482 -156.555 109.531 2.039 107.64 -56.01 -41.911 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . 39.94 52.3 4.64 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 117.428 2.381 . . . . 12.0 117.428 -161.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' HA ' ' A' ' 45' ' ' GLU . 3.6 Cg_exo -100.5 140.86 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 121.615 1.543 . . . . 12.0 113.461 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -84.58 -96.21 0.06 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 110.633 -2.985 . . . . 12.0 114.715 175.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 53' ' ' PRO 0.3 0.0 OUTLIER -61.89 -40.02 64.91 Favored Pre-proline 0 N--CA 1.486 1.343 0 N-CA-C 120.742 3.608 . . . . 12.0 120.742 -173.274 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.8 Cg_exo -5.83 -124.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 1 C-N-CA 126.356 4.704 . . . . 12.0 119.635 -174.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.88 9.14 14.92 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 114.428 1.27 . . . . 12.0 114.428 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.67 -58.22 9.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.323 1.049 . . . . 12.0 108.243 171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.8 87.13 0.23 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.397 1.479 . . . . 12.0 110.663 162.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 127.978 2.511 . . . . 12.0 116.418 174.664 . . . . . . . . 0 0 . 1 stop_ save_