data_2c0x_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 2c0x _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 111.939 0.348 . . . . 20.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -145.75 147.12 31.57 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.739 0.816 . . . . 20.0 109.644 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.61 3.14 89.83 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 121.249 -0.5 . . . . 20.0 112.673 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -110.44 -20.7 12.5 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.82 0.848 . . . . 20.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 20.9 m-20 -49.73 -51.83 56.56 Favored Pre-proline 0 C--N 1.365 1.244 0 CA-C-N 118.644 0.656 . . . . 20.0 110.454 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 5' ' ' ASP . 4.8 Cg_exo -76.49 2.25 7.55 Favored 'Trans proline' 0 CA--C 1.577 2.664 0 C-N-CA 122.791 2.327 . . . . 20.0 114.383 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.51 -30.17 11.95 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 107.025 -1.472 . . . . 20.0 107.025 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -51.09 -34.53 30.82 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 112.213 -2.267 . . . . 20.0 112.089 173.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.88 59.42 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.154 0.502 . . . . 20.0 109.866 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.81 -64.87 0.67 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 114.695 -1.139 . . . . 20.0 109.664 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -66.46 -34.49 78.05 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 116.357 1.984 . . . . 20.0 116.357 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.28 -26.2 68.39 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 120.494 1.497 . . . . 20.0 108.885 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 m -72.74 -43.62 62.7 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 114.839 -1.073 . . . . 20.0 109.26 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.68 -45.29 75.63 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 121.22 -0.925 . . . . 20.0 110.797 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.35 -41.84 97.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 112.273 0.472 . . . . 20.0 112.273 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.19 -29.74 71.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.44 -0.578 . . . . 20.0 109.44 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 26.2 m -74.61 -38.35 62.61 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 106.679 -1.6 . . . . 20.0 106.679 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.38 64.71 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 123.81 0.844 . . . . 20.0 110.601 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -53.81 -33.13 55.15 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 122.891 0.476 . . . . 20.0 112.12 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 17' ' ' SER . 39.1 mt-10 -67.15 -46.26 74.57 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.402 1.081 . . . . 20.0 112.474 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.14 -30.55 23.88 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 109.196 -0.668 . . . . 20.0 109.196 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.96 -37.06 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.124 0.57 . . . . 20.0 111.336 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.19 -16.85 54.63 Favored Glycine 0 C--N 1.362 2.017 0 O-C-N 124.122 0.889 . . . . 20.0 112.295 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' O ' ' HG2' ' A' ' 28' ' ' MET . 5.2 m-30 -90.49 -36.96 14.21 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.057 -1.072 . . . . 20.0 108.295 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.72 83.89 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 109.008 -0.738 . . . . 20.0 109.008 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -62.1 -52.46 63.78 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.13 0.789 . . . . 20.0 113.13 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.67 70.49 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 117.925 0.329 . . . . 20.0 111.816 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 24' ' ' TYR . 12.1 mmm -53.82 -52.19 61.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.043 0.84 . . . . 20.0 111.025 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.38 -44.25 99.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 N-CA-C 107.858 -1.164 . . . . 20.0 107.858 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.81 -36.06 76.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.867 -1.063 . . . . 20.0 112.016 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.9 -39.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 128.321 2.649 . . . . 20.0 107.413 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.06 -36.2 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 114.501 -1.227 . . . . 20.0 110.56 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.539 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 18.7 t -71.22 -32.35 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 115.068 -0.969 . . . . 20.0 109.852 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -43.14 -62.87 2.22 Favored Glycine 0 C--N 1.371 2.51 0 N-CA-C 109.338 -1.505 . . . . 20.0 109.338 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -60.18 -45.03 94.52 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.925 1.083 . . . . 20.0 113.925 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.539 ' HB ' ' HA ' ' A' ' 33' ' ' VAL . 26.9 m -45.64 -60.77 2.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 119.031 -1.067 . . . . 20.0 110.802 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.722 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 24.9 mt -66.06 -46.25 88.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 113.192 0.812 . . . . 20.0 113.192 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . -56.32 -40.84 86.21 Favored Glycine 0 C--N 1.348 1.195 0 C-N-CA 119.994 -1.098 . . . . 20.0 112.674 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.516 HD11 ' N ' ' A' ' 39' ' ' ILE . 1.7 mp -63.61 -44.2 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.031 0.932 . . . . 20.0 109.939 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.722 ' HG3' ' HA ' ' A' ' 37' ' ' ILE . 2.0 mtpp -44.5 -53.34 7.09 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 108.071 -1.085 . . . . 20.0 108.071 175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.1 mp -57.88 -35.87 71.6 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.443 2.339 . . . . 20.0 112.782 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 39' ' ' ILE . 6.2 m-85 -60.39 -49.5 77.32 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 121.65 2.023 . . . . 20.0 107.828 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' O ' ' HB ' ' A' ' 46' ' ' THR . 18.2 mttm -64.84 -36.85 85.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.571 0.749 . . . . 20.0 111.965 177.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.673 ' HG3' ' HA ' ' A' ' 41' ' ' LEU . 4.0 mtpp -56.09 -44.69 79.24 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 107.542 -1.281 . . . . 20.0 107.542 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.801 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -55.76 -35.49 66.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 114.164 -1.38 . . . . 20.0 110.353 176.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 3.0 m -70.08 -62.14 1.5 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 128.174 2.59 . . . . 20.0 112.966 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 m -63.2 -37.77 88.53 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.374 -0.828 . . . . 20.0 112.929 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 47.5 mttm -56.02 -38.83 71.06 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.328 1.233 . . . . 20.0 114.328 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -20.09 19.23 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.678 1.591 . . . . 20.0 114.506 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.224 -0.893 . . . . 20.0 110.953 178.233 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 111.939 0.348 . . . . 20.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -145.75 147.12 31.57 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.739 0.816 . . . . 20.0 109.644 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.61 3.14 89.83 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 121.249 -0.5 . . . . 20.0 112.673 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -110.44 -20.7 12.5 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.82 0.848 . . . . 20.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.516 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 20.9 m-20 -49.73 -51.83 56.56 Favored Pre-proline 0 C--N 1.365 1.244 0 CA-C-N 118.644 0.656 . . . . 20.0 110.454 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' A' ' 5' ' ' ASP . 4.8 Cg_exo -76.49 2.25 7.55 Favored 'Trans proline' 0 CA--C 1.577 2.664 0 C-N-CA 122.791 2.327 . . . . 20.0 114.383 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -100.51 -30.17 11.95 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 107.025 -1.472 . . . . 20.0 107.025 176.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 5.7 ttmm -51.09 -34.53 30.82 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 112.213 -2.267 . . . . 20.0 112.089 173.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.88 59.42 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.154 0.502 . . . . 20.0 109.866 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -47.81 -64.87 0.67 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 114.695 -1.139 . . . . 20.0 109.664 175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -66.46 -34.49 78.05 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 116.357 1.984 . . . . 20.0 116.357 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.28 -26.2 68.39 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 120.494 1.497 . . . . 20.0 108.885 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 m -72.74 -43.62 62.7 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 114.839 -1.073 . . . . 20.0 109.26 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.68 -45.29 75.63 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 121.22 -0.925 . . . . 20.0 110.797 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -61.35 -41.84 97.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 112.273 0.472 . . . . 20.0 112.273 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.19 -29.74 71.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.44 -0.578 . . . . 20.0 109.44 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 26.2 m -74.61 -38.35 62.61 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 106.679 -1.6 . . . . 20.0 106.679 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.38 64.71 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 123.81 0.844 . . . . 20.0 110.601 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -53.81 -33.13 55.15 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 122.891 0.476 . . . . 20.0 112.12 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 17' ' ' SER . 39.1 mt-10 -67.15 -46.26 74.57 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.402 1.081 . . . . 20.0 112.474 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.14 -30.55 23.88 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 109.196 -0.668 . . . . 20.0 109.196 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.96 -37.06 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.124 0.57 . . . . 20.0 111.336 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.19 -16.85 54.63 Favored Glycine 0 C--N 1.362 2.017 0 O-C-N 124.122 0.889 . . . . 20.0 112.295 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' HG2' ' A' ' 28' ' ' MET . 5.2 m-30 -90.49 -36.96 14.21 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.057 -1.072 . . . . 20.0 108.295 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.72 83.89 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 109.008 -0.738 . . . . 20.0 109.008 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -62.1 -52.46 63.78 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.13 0.789 . . . . 20.0 113.13 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -69.15 -31.67 70.49 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 117.925 0.329 . . . . 20.0 111.816 177.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 24' ' ' TYR . 12.1 mmm -53.82 -52.19 61.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.043 0.84 . . . . 20.0 111.025 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.38 -44.25 99.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 N-CA-C 107.858 -1.164 . . . . 20.0 107.858 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.81 -36.06 76.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.867 -1.063 . . . . 20.0 112.016 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 27' ' ' ALA . 83.3 t -60.9 -39.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 128.321 2.649 . . . . 20.0 107.413 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.06 -36.2 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 114.501 -1.227 . . . . 20.0 110.56 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.427 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 18.7 t -71.22 -32.35 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 115.068 -0.969 . . . . 20.0 109.852 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -43.14 -62.87 2.22 Favored Glycine 0 C--N 1.371 2.51 0 N-CA-C 109.338 -1.505 . . . . 20.0 109.338 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -60.18 -45.03 94.52 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.925 1.083 . . . . 20.0 113.925 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 33' ' ' VAL . 26.9 m -45.64 -60.77 2.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 119.031 -1.067 . . . . 20.0 110.802 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.786 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 24.9 mt -66.06 -46.25 88.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 113.192 0.812 . . . . 20.0 113.192 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . -56.32 -40.84 86.21 Favored Glycine 0 C--N 1.348 1.195 0 C-N-CA 119.994 -1.098 . . . . 20.0 112.674 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.7 mp -63.61 -44.2 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.031 0.932 . . . . 20.0 109.939 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.786 ' HG3' ' HA ' ' A' ' 37' ' ' ILE . 2.0 mtpp -44.5 -53.34 7.09 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 108.071 -1.085 . . . . 20.0 108.071 175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.1 mp -57.88 -35.87 71.6 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.443 2.339 . . . . 20.0 112.782 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 45' ' ' PHE . 6.2 m-85 -60.39 -49.5 77.32 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 121.65 2.023 . . . . 20.0 107.828 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' O ' ' HB ' ' A' ' 46' ' ' THR . 18.2 mttm -64.84 -36.85 85.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.571 0.749 . . . . 20.0 111.965 177.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.701 ' HG3' ' HA ' ' A' ' 41' ' ' LEU . 4.0 mtpp -56.09 -44.69 79.24 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 107.542 -1.281 . . . . 20.0 107.542 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.801 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -55.76 -35.49 66.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 114.164 -1.38 . . . . 20.0 110.353 176.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 3.0 m -70.08 -62.14 1.5 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 128.174 2.59 . . . . 20.0 112.966 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 m -63.2 -37.77 88.53 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.374 -0.828 . . . . 20.0 112.929 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 47.5 mttm -56.02 -38.83 71.06 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.328 1.233 . . . . 20.0 114.328 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -20.09 19.23 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.678 1.591 . . . . 20.0 114.506 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.224 -0.893 . . . . 20.0 110.953 178.233 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 111.939 0.348 . . . . 20.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -145.75 147.12 31.57 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.739 0.816 . . . . 20.0 109.644 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.61 3.14 89.83 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 121.249 -0.5 . . . . 20.0 112.673 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -110.44 -20.7 12.5 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.82 0.848 . . . . 20.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.516 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 20.9 m-20 -49.73 -51.83 56.56 Favored Pre-proline 0 C--N 1.365 1.244 0 CA-C-N 118.644 0.656 . . . . 20.0 110.454 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' A' ' 5' ' ' ASP . 4.8 Cg_exo -76.49 2.25 7.55 Favored 'Trans proline' 0 CA--C 1.577 2.664 0 C-N-CA 122.791 2.327 . . . . 20.0 114.383 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -100.51 -30.17 11.95 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 107.025 -1.472 . . . . 20.0 107.025 176.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 5.7 ttmm -51.09 -34.53 30.82 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 112.213 -2.267 . . . . 20.0 112.089 173.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.88 59.42 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.154 0.502 . . . . 20.0 109.866 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -47.81 -64.87 0.67 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 114.695 -1.139 . . . . 20.0 109.664 175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -66.46 -34.49 78.05 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 116.357 1.984 . . . . 20.0 116.357 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.28 -26.2 68.39 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 120.494 1.497 . . . . 20.0 108.885 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 m -72.74 -43.62 62.7 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 114.839 -1.073 . . . . 20.0 109.26 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.68 -45.29 75.63 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 121.22 -0.925 . . . . 20.0 110.797 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -61.35 -41.84 97.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 112.273 0.472 . . . . 20.0 112.273 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.19 -29.74 71.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.44 -0.578 . . . . 20.0 109.44 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 26.2 m -74.61 -38.35 62.61 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 106.679 -1.6 . . . . 20.0 106.679 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.38 64.71 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 123.81 0.844 . . . . 20.0 110.601 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -53.81 -33.13 55.15 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 122.891 0.476 . . . . 20.0 112.12 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 17' ' ' SER . 39.1 mt-10 -67.15 -46.26 74.57 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.402 1.081 . . . . 20.0 112.474 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.8 mtm -85.14 -30.55 23.88 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 109.196 -0.668 . . . . 20.0 109.196 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mm -54.96 -37.06 40.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.124 0.57 . . . . 20.0 111.336 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.19 -16.85 54.63 Favored Glycine 0 C--N 1.362 2.017 0 O-C-N 124.122 0.889 . . . . 20.0 112.295 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' HG2' ' A' ' 28' ' ' MET . 5.2 m-30 -90.49 -36.96 14.21 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 114.057 -1.072 . . . . 20.0 108.295 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.72 83.89 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 109.008 -0.738 . . . . 20.0 109.008 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -62.1 -52.46 63.78 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 113.13 0.789 . . . . 20.0 113.13 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -69.15 -31.67 70.49 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 117.925 0.329 . . . . 20.0 111.816 177.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 24' ' ' TYR . 12.1 mmm -53.82 -52.19 61.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 124.043 0.84 . . . . 20.0 111.025 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.38 -44.25 99.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 N-CA-C 107.858 -1.164 . . . . 20.0 107.858 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.81 -36.06 76.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.867 -1.063 . . . . 20.0 112.016 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 27' ' ' ALA . 83.3 t -60.9 -39.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 128.321 2.649 . . . . 20.0 107.413 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.06 -36.2 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 114.501 -1.227 . . . . 20.0 110.56 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.427 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 18.7 t -71.22 -32.35 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 115.068 -0.969 . . . . 20.0 109.852 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -43.14 -62.87 2.22 Favored Glycine 0 C--N 1.371 2.51 0 N-CA-C 109.338 -1.505 . . . . 20.0 109.338 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -60.18 -45.03 94.52 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.925 1.083 . . . . 20.0 113.925 169.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 33' ' ' VAL . 26.9 m -45.64 -60.77 2.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 119.031 -1.067 . . . . 20.0 110.802 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.786 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 24.9 mt -66.06 -46.25 88.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 N-CA-C 113.192 0.812 . . . . 20.0 113.192 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . -56.32 -40.84 86.21 Favored Glycine 0 C--N 1.348 1.195 0 C-N-CA 119.994 -1.098 . . . . 20.0 112.674 -178.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 35' ' ' ALA . 1.7 mp -63.61 -44.2 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.031 0.932 . . . . 20.0 109.939 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.786 ' HG3' ' HA ' ' A' ' 37' ' ' ILE . 2.0 mtpp -44.5 -53.34 7.09 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 108.071 -1.085 . . . . 20.0 108.071 175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.1 mp -57.88 -35.87 71.6 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.443 2.339 . . . . 20.0 112.782 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 45' ' ' PHE . 6.2 m-85 -60.39 -49.5 77.32 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 121.65 2.023 . . . . 20.0 107.828 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' O ' ' HB ' ' A' ' 46' ' ' THR . 18.2 mttm -64.84 -36.85 85.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.571 0.749 . . . . 20.0 111.965 177.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.701 ' HG3' ' HA ' ' A' ' 41' ' ' LEU . 4.0 mtpp -56.09 -44.69 79.24 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 107.542 -1.281 . . . . 20.0 107.542 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.801 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -55.76 -35.49 66.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 114.164 -1.38 . . . . 20.0 110.353 176.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 3.0 m -70.08 -62.14 1.5 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 128.174 2.59 . . . . 20.0 112.966 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 m -63.2 -37.77 88.53 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.374 -0.828 . . . . 20.0 112.929 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 47.5 mttm -56.02 -38.83 71.06 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.328 1.233 . . . . 20.0 114.328 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -20.09 19.23 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.678 1.591 . . . . 20.0 114.506 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.224 -0.893 . . . . 20.0 110.953 178.233 . . . . . . . . 0 0 . 1 stop_ save_