data_1qh2_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 1qh2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.41 -166.44 0.12 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.079 0.862 . . . . 0.0 112.173 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -154.33 145.86 23.16 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.986 -75.303 101.992 90.624 103.555 2.02 103.84 159.92 -169.407 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -61.14 -35.64 77.61 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 124.263 0.977 . . . . 0.0 108.501 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 mt -135.01 -126.31 0.16 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 13.7 m-80 51.97 92.12 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 123.758 0.661 . . . . 0.0 112.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -160.47 51.86 0.3 Allowed 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 -179.533 -7.48 50.526 77.301 103.595 2.02 104.348 -111.227 96.177 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.55 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 1.6 p30 61.01 130.24 0.02 OUTLIER Pre-proline 0 N--CA 1.514 2.749 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -79.11 -31.4 2.24 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 122.23 1.954 . . . . 0.0 107.3 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 -10.09 0.18 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 124.505 1.128 . . . . 0.0 113.181 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HB ' ' CB ' ' A' ' 8' ' ' ASP . 4.1 mt -59.65 170.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . . . -131.49 -67.99 0.67 Allowed 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CZ ' HG22 ' A' ' 15' ' ' VAL . 4.9 t80 -97.25 148.11 23.43 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' CE1' ' B' ' 15' ' ' TYR . . . -141.12 147.98 19.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 4.1 t -132.18 81.21 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 124.437 0.728 . . . . 0.0 111.199 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -55.6 -46.39 99.73 Favored Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.92 179.987 -50.984 -77.833 86.72 103.992 2.02 104.379 -119.332 -79.365 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -75.72 87.95 1.34 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.694 1.596 . . . . 0.0 109.602 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 . . . . . 0 N--CA 1.507 2.419 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.91 118.62 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 124.572 1.17 . . . . 0.0 109.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -165.2 0.03 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.917 179.839 96.177 -111.227 77.301 104.348 2.02 103.595 50.526 -7.48 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.1 m 73.84 118.68 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' B' ' 10' ' ' LYS . 6.0 t30 118.34 135.41 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 127.256 2.848 . . . . 0.0 115.758 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . 0.878 ' SG ' ' CE2' ' B' ' 15' ' ' TYR . 1.2 m -55.9 15.11 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -179.75 -97.335 -178.909 -155.992 116.357 2.023 104.068 -134.889 140.997 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -79.87 -23.04 42.18 Favored 'General case' 0 CA--C 1.582 2.204 1 N-CA-C 96.069 -5.53 . . . . 0.0 96.069 177.568 -169.407 159.92 90.624 103.84 2.02 103.555 101.992 -75.303 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.91 29.97 0.26 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 128.296 2.638 . . . . 0.0 106.4 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.54 ' H ' ' HA ' ' B' ' 6' ' ' CYS . . . -174.35 -77.23 0.05 OUTLIER Glycine 2 CA--C 1.591 4.809 1 N-CA-C 127.305 5.682 . . . . 0.0 127.305 -179.874 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.703 ' CA ' ' SG ' ' B' ' 6' ' ' CYS . 3.8 tmmm? -132.92 113.65 13.11 Favored 'General case' 1 N--CA 1.541 4.077 0 C-N-CA 128.262 2.625 . . . . 0.0 116.42 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.58 ' N ' ' HB2' ' B' ' 6' ' ' CYS . 29.1 mmtt 86.23 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.579 0 C-N-CA 127.61 2.364 . . . . 0.0 115.212 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.522 ' H ' ' HA2' ' B' ' 26' ' ' GLY . . . 168.68 -42.42 0.22 Allowed Glycine 2 N--CA 1.531 5.022 0 N-CA-C 120.802 3.081 . . . . 0.0 120.802 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.556 ' H ' ' HB3' ' B' ' 6' ' ' CYS . 25.0 m -126.43 162.65 25.09 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 127.069 2.148 . . . . 0.0 108.812 -179.851 -79.365 -119.332 86.72 104.379 2.02 103.992 -77.833 -50.984 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 163.06 28.33 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 125.053 3.57 . . . . 0.0 105.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . 0.878 ' CE2' ' SG ' ' B' ' 6' ' ' CYS . 67.6 m-85 -154.38 134.63 13.26 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 16' ' ' PHE . 30.4 m-85 -118.36 154.57 32.16 Favored 'General case' 0 C--N 1.308 -1.207 1 O-C-N 130.202 4.689 . . . . 0.0 107.548 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 19' ' ' ASP . 1.0 OUTLIER -125.82 144.89 50.46 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 45.45 -70.43 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.719 2.512 . . . . 0.0 114.706 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 17' ' ' SER . 7.0 p-10 -97.65 -52.23 3.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 111.356 -2.656 . . . . 0.0 110.056 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.87 10.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.09 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -63.44 105.73 0.81 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -54.54 148.92 11.38 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.83 -42.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.097 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -146.61 125.96 13.12 Favored 'General case' 0 N--CA 1.525 3.302 0 C-N-CA 116.901 -1.92 . . . . 0.0 116.123 -179.91 140.997 -134.889 -155.992 104.068 2.023 116.357 -178.909 -97.335 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -84.08 43.39 0.93 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.806 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.522 ' HA2' ' H ' ' B' ' 12' ' ' GLY . . . 48.52 63.46 3.75 Favored Glycine 0 N--CA 1.472 1.074 0 CA-C-N 114.598 -1.183 . . . . 0.0 113.581 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 152.73 -1.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.593 0 O-C-N 126.498 1.94 . . . . 0.0 110.176 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 116.566 -1.683 . . . . 0.0 110.637 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.41 -166.44 0.12 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.079 0.862 . . . . 0.0 112.173 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -154.33 145.86 23.16 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.986 -75.303 101.992 90.624 103.555 2.02 103.84 159.92 -169.407 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -61.14 -35.64 77.61 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 124.263 0.977 . . . . 0.0 108.501 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 mt -135.01 -126.31 0.16 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 13.7 m-80 51.97 92.12 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 123.758 0.661 . . . . 0.0 112.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -160.47 51.86 0.3 Allowed 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 -179.533 -7.48 50.526 77.301 103.595 2.02 104.348 -111.227 96.177 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.666 ' HB2' ' HB ' ' A' ' 11' ' ' ILE . 1.6 p30 61.01 130.24 0.02 OUTLIER Pre-proline 0 N--CA 1.514 2.749 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' A' ' 11' ' ' ILE . 25.1 Cg_endo -79.11 -31.4 2.24 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 122.23 1.954 . . . . 0.0 107.3 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -152.55 -10.09 0.18 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 124.505 1.128 . . . . 0.0 113.181 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.808 HD13 ' O ' ' B' ' 9' ' ' GLY . 4.1 mt -59.65 170.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . . . -131.49 -67.99 0.67 Allowed 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 15' ' ' VAL . 4.9 t80 -97.25 148.11 23.43 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' CE1' ' B' ' 15' ' ' TYR . . . -141.12 147.98 19.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 4.1 t -132.18 81.21 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 124.437 0.728 . . . . 0.0 111.199 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 34.4 m -55.6 -46.39 99.73 Favored Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.92 179.987 -50.984 -77.833 86.72 103.992 2.02 104.379 -119.332 -79.365 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 16' ' ' CYS . 36.3 Cg_endo -75.72 87.95 1.34 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.694 1.596 . . . . 0.0 109.602 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 . . . . . 0 N--CA 1.507 2.419 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.91 118.62 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 124.572 1.17 . . . . 0.0 109.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -165.2 0.03 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.917 179.839 96.177 -111.227 77.301 104.348 2.02 103.595 50.526 -7.48 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.508 ' HA ' ' CA ' ' A' ' 8' ' ' ASP . 12.1 m 73.84 118.68 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' B' ' 10' ' ' LYS . 19.0 t-20 118.34 135.41 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 127.256 2.848 . . . . 0.0 115.758 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' CYS . . . . . 0.878 ' SG ' ' CE2' ' B' ' 15' ' ' TYR . 1.2 m -55.9 15.11 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -179.75 -97.335 -178.909 -155.992 116.357 2.023 104.068 -134.889 140.997 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -79.87 -23.04 42.18 Favored 'General case' 0 CA--C 1.582 2.204 1 N-CA-C 96.069 -5.53 . . . . 0.0 96.069 177.568 -169.407 159.92 90.624 103.84 2.02 103.555 101.992 -75.303 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . . . -157.91 29.97 0.26 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 128.296 2.638 . . . . 0.0 106.4 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.875 ' H ' ' HA ' ' B' ' 6' ' ' CYS . . . -174.35 -77.23 0.05 OUTLIER Glycine 2 CA--C 1.591 4.809 1 N-CA-C 127.305 5.682 . . . . 0.0 127.305 -179.874 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.703 ' CA ' ' SG ' ' B' ' 6' ' ' CYS . 3.8 tmmm? -132.92 113.65 13.11 Favored 'General case' 1 N--CA 1.541 4.077 0 C-N-CA 128.262 2.625 . . . . 0.0 116.42 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.682 ' N ' ' HB2' ' B' ' 6' ' ' CYS . 29.1 mmtt 86.23 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.579 0 C-N-CA 127.61 2.364 . . . . 0.0 115.212 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.627 ' H ' ' HA2' ' B' ' 26' ' ' GLY . . . 168.68 -42.42 0.22 Allowed Glycine 2 N--CA 1.531 5.022 0 N-CA-C 120.802 3.081 . . . . 0.0 120.802 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.571 ' N ' ' HA2' ' B' ' 26' ' ' GLY . 25.0 m -126.43 162.65 25.09 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 127.069 2.148 . . . . 0.0 108.812 -179.851 -79.365 -119.332 86.72 104.379 2.02 103.992 -77.833 -50.984 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 163.06 28.33 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 125.053 3.57 . . . . 0.0 105.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . 0.878 ' CE2' ' SG ' ' B' ' 6' ' ' CYS . 67.6 m-85 -154.38 134.63 13.26 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 16' ' ' PHE . 30.4 m-85 -118.36 154.57 32.16 Favored 'General case' 0 C--N 1.308 -1.207 1 O-C-N 130.202 4.689 . . . . 0.0 107.548 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 19' ' ' ASP . 1.0 OUTLIER -125.82 144.89 50.46 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 45.45 -70.43 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.719 2.512 . . . . 0.0 114.706 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 17' ' ' SER . 7.0 p-10 -97.65 -52.23 3.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 111.356 -2.656 . . . . 0.0 110.056 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.87 10.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.09 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -63.44 105.73 0.81 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -54.54 148.92 11.38 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -143.83 -42.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.097 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -146.61 125.96 13.12 Favored 'General case' 0 N--CA 1.525 3.302 0 C-N-CA 116.901 -1.92 . . . . 0.0 116.123 -179.91 140.997 -134.889 -155.992 104.068 2.023 116.357 -178.909 -97.335 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' B' ' 25' ' ' GLU . 11.7 pt-20 -84.08 43.39 0.93 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.806 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.627 ' HA2' ' H ' ' B' ' 12' ' ' GLY . . . 48.52 63.46 3.75 Favored Glycine 0 N--CA 1.472 1.074 0 CA-C-N 114.598 -1.183 . . . . 0.0 113.581 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER 152.73 -1.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.593 0 O-C-N 126.498 1.94 . . . . 0.0 110.176 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 116.566 -1.683 . . . . 0.0 110.637 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.41 -166.44 0.12 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 124.079 0.862 . . . . 0.0 112.173 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -154.33 145.86 23.16 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.986 -75.303 101.992 90.624 103.555 2.02 103.84 159.92 -169.407 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -61.14 -35.64 77.61 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 124.263 0.977 . . . . 0.0 108.501 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 mt -135.01 -126.31 0.16 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.42 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 13.7 m-80 51.97 92.12 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 123.758 0.661 . . . . 0.0 112.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -160.47 51.86 0.3 Allowed 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 -179.533 -7.48 50.526 77.301 103.595 2.02 104.348 -111.227 96.177 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.666 ' HB2' ' HB ' ' A' ' 11' ' ' ILE . 1.6 p30 61.01 130.24 0.02 OUTLIER Pre-proline 0 N--CA 1.514 2.749 0 N-CA-C 121.06 3.726 . . . . 0.0 121.06 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' A' ' 11' ' ' ILE . 25.1 Cg_endo -79.11 -31.4 2.24 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 122.23 1.954 . . . . 0.0 107.3 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -152.55 -10.09 0.18 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 124.505 1.128 . . . . 0.0 113.181 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.808 HD13 ' O ' ' B' ' 9' ' ' GLY . 4.1 mt -59.65 170.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 11' ' ' ILE . . . -131.49 -67.99 0.67 Allowed 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 15' ' ' VAL . 4.9 t80 -97.25 148.11 23.43 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA3' ' CE1' ' B' ' 15' ' ' TYR . . . -141.12 147.98 19.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 4.1 t -132.18 81.21 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 124.437 0.728 . . . . 0.0 111.199 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . 34.4 m -55.6 -46.39 99.73 Favored Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.92 179.987 -50.984 -77.833 86.72 103.992 2.02 104.379 -119.332 -79.365 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 16' ' ' CYS . 36.3 Cg_endo -75.72 87.95 1.34 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.694 1.596 . . . . 0.0 109.602 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 . . . . . 0 N--CA 1.507 2.419 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.91 118.62 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 124.572 1.17 . . . . 0.0 109.494 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER -165.2 0.03 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.917 179.839 96.177 -111.227 77.301 104.348 2.02 103.595 50.526 -7.48 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.508 ' HA ' ' CA ' ' A' ' 8' ' ' ASP . 12.1 m 73.84 118.68 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 120.713 3.597 . . . . 0.0 120.713 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' B' ' 10' ' ' LYS . 6.0 t30 118.34 135.41 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 127.256 2.848 . . . . 0.0 115.758 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . 0.878 ' SG ' ' CE2' ' B' ' 15' ' ' TYR . 1.2 m -55.9 15.11 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 119.601 3.186 . . . . 0.0 119.601 -179.75 -97.335 -178.909 -155.992 116.357 2.023 104.068 -134.889 140.997 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -79.87 -23.04 42.18 Favored 'General case' 0 CA--C 1.582 2.204 1 N-CA-C 96.069 -5.53 . . . . 0.0 96.069 177.568 -169.407 159.92 90.624 103.84 2.02 103.555 101.992 -75.303 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 7' ' ' CYS . . . -157.91 29.97 0.26 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 128.296 2.638 . . . . 0.0 106.4 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.875 ' H ' ' HA ' ' B' ' 6' ' ' CYS . . . -174.35 -77.23 0.05 OUTLIER Glycine 2 CA--C 1.591 4.809 1 N-CA-C 127.305 5.682 . . . . 0.0 127.305 -179.874 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.703 ' CA ' ' SG ' ' B' ' 6' ' ' CYS . 3.8 tmmm? -132.92 113.65 13.11 Favored 'General case' 1 N--CA 1.541 4.077 0 C-N-CA 128.262 2.625 . . . . 0.0 116.42 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.682 ' N ' ' HB2' ' B' ' 6' ' ' CYS . 29.1 mmtt 86.23 65.47 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.579 0 C-N-CA 127.61 2.364 . . . . 0.0 115.212 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.627 ' H ' ' HA2' ' B' ' 26' ' ' GLY . . . 168.68 -42.42 0.22 Allowed Glycine 2 N--CA 1.531 5.022 0 N-CA-C 120.802 3.081 . . . . 0.0 120.802 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.571 ' N ' ' HA2' ' B' ' 26' ' ' GLY . 25.0 m -126.43 162.65 25.09 Favored 'General case' 0 N--CA 1.529 3.513 0 C-N-CA 127.069 2.148 . . . . 0.0 108.812 -179.851 -79.365 -119.332 86.72 104.379 2.02 103.992 -77.833 -50.984 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 163.06 28.33 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 125.053 3.57 . . . . 0.0 105.906 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.878 ' CE2' ' SG ' ' B' ' 6' ' ' CYS . 67.6 m-85 -154.38 134.63 13.26 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 16' ' ' PHE . 30.4 m-85 -118.36 154.57 32.16 Favored 'General case' 0 C--N 1.308 -1.207 1 O-C-N 130.202 4.689 . . . . 0.0 107.548 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 19' ' ' ASP . 1.0 OUTLIER -125.82 144.89 50.46 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 45.45 -70.43 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 126.719 2.512 . . . . 0.0 114.706 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 17' ' ' SER . 7.0 p-10 -97.65 -52.23 3.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 111.356 -2.656 . . . . 0.0 110.056 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.87 10.71 0.02 OUTLIER Glycine 0 N--CA 1.487 2.09 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.522 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -63.44 105.73 0.81 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -54.54 148.92 11.38 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -143.83 -42.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 CA-C-N 114.345 -1.298 . . . . 0.0 112.097 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' B' ' 15' ' ' TYR . 0.0 OUTLIER -146.61 125.96 13.12 Favored 'General case' 0 N--CA 1.525 3.302 0 C-N-CA 116.901 -1.92 . . . . 0.0 116.123 -179.91 140.997 -134.889 -155.992 104.068 2.023 116.357 -178.909 -97.335 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' B' ' 25' ' ' GLU . 11.7 pt-20 -84.08 43.39 0.93 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.806 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.627 ' HA2' ' H ' ' B' ' 12' ' ' GLY . . . 48.52 63.46 3.75 Favored Glycine 0 N--CA 1.472 1.074 0 CA-C-N 114.598 -1.183 . . . . 0.0 113.581 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER 152.73 -1.67 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.593 0 O-C-N 126.498 1.94 . . . . 0.0 110.176 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 116.566 -1.683 . . . . 0.0 110.637 -179.975 . . . . . . . . 0 0 . 1 stop_ save_