data_2n29_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 2n29 _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 full ' A' A ' 1' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 88.6 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -69.72 -39.6 76.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.144 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 99.6 mtt180 -93.93 58.62 2.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' ARG . 88.0 tttt 38.17 99.44 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.874 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.708 ' CG2' ' H ' ' A' ' 6' ' ' LEU . 34.8 mt 34.23 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.219 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.708 ' H ' ' CG2' ' A' ' 5' ' ' ILE . 68.0 mt 73.4 -41.12 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.502 ' H ' ' C ' ' A' ' 5' ' ' ILE . 23.3 mmm180 -61.01 -5.15 1.25 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.099 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 10' ' ' LYS . 72.3 tp60 -78.59 -58.81 3.06 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.782 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -40.71 -7.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.824 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 8' ' ' GLN . 64.6 tttm -58.85 -41.28 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.89 -26.1 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 63.9 t0 -48.96 -24.19 1.4 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.431 0.56 . . . . 0.0 109.694 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.63 -26.96 62.35 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.698 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -49.35 -38.06 26.85 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 121.597 -0.689 . . . . 0.0 110.988 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 16' ' ' ASP . 20.2 tt -58.1 -40.75 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.054 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 15' ' ' ILE . 66.3 t0 -66.33 -41.42 89.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.13 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -67.41 -37.81 83.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.986 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.62 -44.66 96.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.746 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.31 -34.71 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -62.87 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.892 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -51.83 -36.89 49.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.914 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.16 89.85 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.501 -0.879 . . . . 0.0 108.938 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.47 -37.57 83.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.198 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.81 89.85 5.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.221 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 t -178.01 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 -61.79 0.3 Allowed Glycine 0 N--CA 1.467 0.702 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 29' ' ' SER . 54.8 p30 -102.32 22.01 14.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' SER . 95.1 mt-10 60.09 -71.43 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.099 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.3 p 83.51 57.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.242 0.544 . . . . 0.0 110.935 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.65 -45.88 92.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.979 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.9 -36.47 26.91 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.52 -40.27 16.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.102 -0.646 . . . . 0.0 111.277 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.8 mt -84.45 -63.26 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -61.21 -50.65 72.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.257 0.551 . . . . 0.0 110.725 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.46 -21.42 51.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.947 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.9 -41.27 95.74 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.57 -37.62 78.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.69 -34.55 67.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.93 -38.84 70.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.19 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.05 96.67 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.88 -44.67 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.43 -38.06 73.78 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.17 -1.12 52.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.67 0.668 . . . . 0.0 110.256 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.74 42.06 7.94 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.51 ' O ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-70 39.53 87.65 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.966 -0.117 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -44.55 -22.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -87.95 164.11 35.15 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.936 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 39.7 Cg_endo -64.77 34.96 0.1 Allowed 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 122.509 2.139 . . . . 0.0 114.187 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' C ' ' H ' ' A' ' 51' ' ' VAL . 83.8 m95 -99.41 -14.52 19.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 119.183 0.901 . . . . 0.0 113.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 49.1 t0 -62.74 -1.09 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 118.055 0.389 . . . . 0.0 110.711 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' H ' ' C ' ' A' ' 49' ' ' TRP . 10.2 t 70.28 -47.48 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.392 0.433 . . . . 0.0 110.945 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 50' ' ' ASP . 97.4 m-20 -88.12 6.64 35.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' OXT' ' A' ' 54' ' ' LEU . 96.4 m-20 56.7 38.03 29.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.076 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' OXT' ' O ' ' A' ' 53' ' ' ASP . 2.4 tt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.44 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 88.6 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -69.72 -39.6 76.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.144 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 99.6 mtt180 -93.93 58.62 2.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' ARG . 88.0 tttt 38.17 99.44 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.874 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 6' ' ' LEU . 34.8 mt 34.23 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.219 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.974 ' H ' HG22 ' A' ' 5' ' ' ILE . 68.0 mt 73.4 -41.12 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 1' ' ' GLU . 23.3 mmm180 -61.01 -5.15 1.25 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.099 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 10' ' ' LYS . 72.3 tp60 -78.59 -58.81 3.06 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.782 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -40.71 -7.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.824 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 8' ' ' GLN . 64.6 tttm -58.85 -41.28 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -54.89 -26.1 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' N ' HD12 ' A' ' 11' ' ' ILE . 63.9 t0 -48.96 -24.19 1.4 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.431 0.56 . . . . 0.0 109.694 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.63 -26.96 62.35 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.698 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -49.35 -38.06 26.85 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 121.597 -0.689 . . . . 0.0 110.988 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 16' ' ' ASP . 20.2 tt -58.1 -40.75 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.054 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' ILE . 66.3 t0 -66.33 -41.42 89.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.13 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -67.41 -37.81 83.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.986 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.62 -44.66 96.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.746 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.31 -34.71 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -62.87 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.892 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -51.83 -36.89 49.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.914 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.16 89.85 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.501 -0.879 . . . . 0.0 108.938 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.47 -37.57 83.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.198 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.81 89.85 5.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.221 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 t -178.01 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 -61.79 0.3 Allowed Glycine 0 N--CA 1.467 0.702 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 29' ' ' SER . 54.8 p30 -102.32 22.01 14.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' SER . 95.1 mt-10 60.09 -71.43 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.099 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.3 p 83.51 57.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.242 0.544 . . . . 0.0 110.935 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.65 -45.88 92.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.979 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -49.9 -36.47 26.91 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.52 -40.27 16.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.102 -0.646 . . . . 0.0 111.277 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.8 mt -84.45 -63.26 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -61.21 -50.65 72.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.257 0.551 . . . . 0.0 110.725 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 31' ' ' GLY . . . -58.46 -21.42 51.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.947 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.9 -41.27 95.74 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.57 -37.62 78.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.69 -34.55 67.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.93 -38.84 70.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.19 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.05 96.67 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG22 ' NE2' ' A' ' 45' ' ' HIS . 54.6 t -63.88 -44.67 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.43 -38.06 73.78 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mm? -83.17 -1.12 52.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.67 0.668 . . . . 0.0 110.256 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.74 42.06 7.94 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' NE2' HG22 ' A' ' 41' ' ' VAL . 96.4 m-70 39.53 87.65 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.966 -0.117 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -44.55 -22.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -87.95 164.11 35.15 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.936 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 39.7 Cg_endo -64.77 34.96 0.1 Allowed 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 122.509 2.139 . . . . 0.0 114.187 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.439 ' C ' ' H ' ' A' ' 51' ' ' VAL . 83.8 m95 -99.41 -14.52 19.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 119.183 0.901 . . . . 0.0 113.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 49.1 t0 -62.74 -1.09 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 118.055 0.389 . . . . 0.0 110.711 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 49' ' ' TRP . 10.2 t 70.28 -47.48 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.392 0.433 . . . . 0.0 110.945 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -88.12 6.64 35.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' OXT' ' A' ' 54' ' ' LEU . 96.4 m-20 56.7 38.03 29.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.076 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' OXT' ' O ' ' A' ' 53' ' ' ASP . 2.4 tt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.44 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 88.6 tt0 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -69.72 -39.6 76.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.144 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 99.6 mtt180 -93.93 58.62 2.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' ARG . 88.0 tttt 38.17 99.44 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.874 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 6' ' ' LEU . 34.8 mt 34.23 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.219 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.974 ' H ' HG22 ' A' ' 5' ' ' ILE . 68.0 mt 73.4 -41.12 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 1' ' ' GLU . 23.3 mmm180 -61.01 -5.15 1.25 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.099 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' O ' ' N ' ' A' ' 10' ' ' LYS . 72.3 tp60 -78.59 -58.81 3.06 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.782 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -40.71 -7.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.824 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 8' ' ' GLN . 64.6 tttm -58.85 -41.28 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -54.89 -26.1 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' N ' HD12 ' A' ' 11' ' ' ILE . 63.9 t0 -48.96 -24.19 1.4 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.431 0.56 . . . . 0.0 109.694 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.63 -26.96 62.35 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.698 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -49.35 -38.06 26.85 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 121.597 -0.689 . . . . 0.0 110.988 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 16' ' ' ASP . 20.2 tt -58.1 -40.75 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.054 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' ILE . 66.3 t0 -66.33 -41.42 89.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.13 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -67.41 -37.81 83.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.986 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.62 -44.66 96.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.746 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 pt -72.31 -34.71 50.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -62.87 -43.16 99.54 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.892 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -51.83 -36.89 49.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.914 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.16 89.85 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.501 -0.879 . . . . 0.0 108.938 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.47 -37.57 83.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.198 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -95.81 89.85 5.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.221 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 t -178.01 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.09 -61.79 0.3 Allowed Glycine 0 N--CA 1.467 0.702 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 29' ' ' SER . 54.8 p30 -102.32 22.01 14.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 29' ' ' SER . 95.1 mt-10 60.09 -71.43 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.099 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.3 p 83.51 57.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.242 0.544 . . . . 0.0 110.935 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.65 -45.88 92.45 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.979 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -49.9 -36.47 26.91 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -85.52 -40.27 16.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.102 -0.646 . . . . 0.0 111.277 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.8 mt -84.45 -63.26 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -61.21 -50.65 72.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.257 0.551 . . . . 0.0 110.725 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 31' ' ' GLY . . . -58.46 -21.42 51.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.947 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.9 -41.27 95.74 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.57 -37.62 78.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.69 -34.55 67.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.491 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.93 -38.84 70.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.19 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.05 96.67 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG22 ' NE2' ' A' ' 45' ' ' HIS . 54.6 t -63.88 -44.67 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.43 -38.06 73.78 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mm? -83.17 -1.12 52.17 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.67 0.668 . . . . 0.0 110.256 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.74 42.06 7.94 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' NE2' HG22 ' A' ' 41' ' ' VAL . 96.4 m-70 39.53 87.65 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.966 -0.117 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -44.55 -22.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -87.95 164.11 35.15 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.936 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 39.7 Cg_endo -64.77 34.96 0.1 Allowed 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 122.509 2.139 . . . . 0.0 114.187 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.439 ' C ' ' H ' ' A' ' 51' ' ' VAL . 83.8 m95 -99.41 -14.52 19.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 119.183 0.901 . . . . 0.0 113.054 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 49.1 t0 -62.74 -1.09 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 118.055 0.389 . . . . 0.0 110.711 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 49' ' ' TRP . 10.2 t 70.28 -47.48 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.392 0.433 . . . . 0.0 110.945 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -88.12 6.64 35.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' OXT' ' A' ' 54' ' ' LEU . 96.4 m-20 56.7 38.03 29.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.076 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' OXT' ' O ' ' A' ' 53' ' ' ASP . 2.4 tt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.44 179.951 . . . . . . . . 1 1 . 1 stop_ save_