data_2c55_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 2c55 _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' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.96 75.89 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -103.1 -169.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -124.11 122.88 26.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.56 121.48 2.22 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.586 2.191 . . . . 0.0 112.427 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -83.01 -51.78 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 1.1 Cg_endo -86.85 174.83 5.38 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.615 2.877 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -134.46 137.88 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . . . 63.31 132.59 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 9' ' ' ALA . 47.8 Cg_exo -21.75 87.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 124.873 3.716 . . . . 0.0 114.227 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -93.27 58.48 0.43 Allowed 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 124.335 3.357 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -104.87 35.53 2.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -106.79 -9.77 16.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.009 0.909 . . . . 0.0 110.295 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -90.36 -14.88 32.15 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.767 -1.561 . . . . 0.0 109.425 177.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -87.34 -6.9 58.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.935 -1.939 . . . . 0.0 109.67 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 34.51 3.64 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -124.1 -44.75 2.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.424 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . -75.37 -16.01 80.86 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.051 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -75.54 -2.98 31.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.556 0.693 . . . . 0.0 110.232 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -108.59 13.34 25.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.594 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.8 m -97.67 40.48 1.16 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.733 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 t 45.15 43.84 8.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.431 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.415 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -74.28 -56.98 2.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 23' ' ' THR . 67.1 Cg_endo -74.59 125.24 9.4 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.495 2.13 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -104.95 152.77 22.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 123.22 15.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp 59.94 160.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.54 173.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.83 98.29 40.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -97.66 24.51 0.25 Allowed 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.763 2.976 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 mp -113.18 38.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.844 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . 27.9 p-10 -140.48 33.35 1.86 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.472 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.0 -54.54 0.81 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.718 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 4.2 mm-40 -94.46 -2.74 51.28 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.79 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 7.5 mt -137.2 35.01 2.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.296 1.045 . . . . 0.0 110.005 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.665 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -122.99 -44.56 0.04 OUTLIER Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 113.281 -1.781 . . . . 0.0 113.295 -177.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.665 ' CD ' ' H ' ' A' ' 36' ' ' TYR . 10.5 Cg_exo -64.3 -16.1 53.24 Favored 'Trans proline' 0 N--CA 1.422 -2.733 0 C-N-CA 123.197 2.598 . . . . 0.0 106.594 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 41' ' ' LEU . 13.6 mt -68.02 -57.12 6.66 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 112.285 -2.234 . . . . 0.0 108.531 175.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.65 64.01 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.453 -1.703 . . . . 0.0 109.709 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -21.47 44.3 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 112.816 -1.993 . . . . 0.0 109.461 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.787 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.91 -13.27 60.87 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.128 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.713 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 16.7 mmt180 -104.95 14.12 29.92 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.633 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.6 t -112.61 -54.61 2.6 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.575 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -70.05 -10.3 58.24 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.9 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.713 ' CE1' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -63.83 -21.91 66.66 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.636 177.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.601 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -91.69 42.76 2.77 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.4 p -145.83 39.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -109.4 94.89 17.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.68 111.78 2.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.453 2.102 . . . . 0.0 112.262 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.63 88.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -131.66 86.53 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.898 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.96 75.89 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -103.1 -169.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -124.11 122.88 26.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.56 121.48 2.22 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.586 2.191 . . . . 0.0 112.427 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -83.01 -51.78 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 1.1 Cg_endo -86.85 174.83 5.38 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.615 2.877 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -134.46 137.88 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . . . 63.31 132.59 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 9' ' ' ALA . 47.8 Cg_exo -21.75 87.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 124.873 3.716 . . . . 0.0 114.227 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -93.27 58.48 0.43 Allowed 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 124.335 3.357 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -104.87 35.53 2.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -106.79 -9.77 16.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.009 0.909 . . . . 0.0 110.295 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -90.36 -14.88 32.15 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.767 -1.561 . . . . 0.0 109.425 177.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -87.34 -6.9 58.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.935 -1.939 . . . . 0.0 109.67 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 34.51 3.64 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -124.1 -44.75 2.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.424 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . -75.37 -16.01 80.86 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.051 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -75.54 -2.98 31.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.556 0.693 . . . . 0.0 110.232 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -108.59 13.34 25.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.594 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 22' ' ' THR . 16.8 m -97.67 40.48 1.16 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.733 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 21' ' ' THR . 14.0 t 45.15 43.84 8.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.431 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -74.28 -56.98 2.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HA ' HD11 ' A' ' 31' ' ' ILE . 67.1 Cg_endo -74.59 125.24 9.4 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.495 2.13 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -104.95 152.77 22.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 123.22 15.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp 59.94 160.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.54 173.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.83 98.29 40.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.942 ' HD2' HD12 ' A' ' 31' ' ' ILE . 24.3 Cg_endo -97.66 24.51 0.25 Allowed 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.763 2.976 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.968 HG23 HD12 ' A' ' 35' ' ' LEU . 1.8 mp -113.18 38.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.844 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . 27.9 p-10 -140.48 33.35 1.86 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.472 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.0 -54.54 0.81 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.718 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.075 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.2 mm-40 -94.46 -2.74 51.28 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.79 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD23 ' O ' ' A' ' 34' ' ' GLU . 7.5 mt -137.2 35.01 2.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.296 1.045 . . . . 0.0 110.005 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.782 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -122.99 -44.56 0.04 OUTLIER Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 113.281 -1.781 . . . . 0.0 113.295 -177.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 36' ' ' TYR . 10.5 Cg_exo -64.3 -16.1 53.24 Favored 'Trans proline' 0 N--CA 1.422 -2.733 0 C-N-CA 123.197 2.598 . . . . 0.0 106.594 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' A' ' 41' ' ' LEU . 13.6 mt -68.02 -57.12 6.66 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 112.285 -2.234 . . . . 0.0 108.531 175.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.65 64.01 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.453 -1.703 . . . . 0.0 109.709 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -21.47 44.3 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 112.816 -1.993 . . . . 0.0 109.461 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.763 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.91 -13.27 60.87 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.128 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.713 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 16.7 mmt180 -104.95 14.12 29.92 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.633 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.6 t -112.61 -54.61 2.6 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.575 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -70.05 -10.3 58.24 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.9 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.713 ' CE1' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -63.83 -21.91 66.66 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.636 177.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.601 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -91.69 42.76 2.77 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.4 p -145.83 39.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -109.4 94.89 17.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.68 111.78 2.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.453 2.102 . . . . 0.0 112.262 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.63 88.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -131.66 86.53 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.898 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.96 75.89 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -103.1 -169.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -124.11 122.88 26.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.56 121.48 2.22 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.586 2.191 . . . . 0.0 112.427 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -83.01 -51.78 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 1.1 Cg_endo -86.85 174.83 5.38 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.615 2.877 . . . . 0.0 112.536 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -134.46 137.88 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . . . 63.31 132.59 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.71 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 9' ' ' ALA . 47.8 Cg_exo -21.75 87.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 124.873 3.716 . . . . 0.0 114.227 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -93.27 58.48 0.43 Allowed 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 124.335 3.357 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -104.87 35.53 2.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -106.79 -9.77 16.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.009 0.909 . . . . 0.0 110.295 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -90.36 -14.88 32.15 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 113.767 -1.561 . . . . 0.0 109.425 177.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -87.34 -6.9 58.31 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.935 -1.939 . . . . 0.0 109.67 178.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 34.51 3.64 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -124.1 -44.75 2.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.424 -179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . -75.37 -16.01 80.86 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.051 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -75.54 -2.98 31.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.556 0.693 . . . . 0.0 110.232 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -108.59 13.34 25.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.594 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 22' ' ' THR . 16.8 m -97.67 40.48 1.16 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.733 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 21' ' ' THR . 14.0 t 45.15 43.84 8.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.431 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -74.28 -56.98 2.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.023 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HA ' HD11 ' A' ' 31' ' ' ILE . 67.1 Cg_endo -74.59 125.24 9.4 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.495 2.13 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -104.95 152.77 22.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 123.22 15.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp 59.94 160.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.54 173.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.83 98.29 40.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.942 ' HD2' HD12 ' A' ' 31' ' ' ILE . 24.3 Cg_endo -97.66 24.51 0.25 Allowed 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.763 2.976 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.968 HG23 HD12 ' A' ' 35' ' ' LEU . 1.8 mp -113.18 38.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.844 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . 27.9 p-10 -140.48 33.35 1.86 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.472 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.0 -54.54 0.81 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.718 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.075 ' O ' HD23 ' A' ' 35' ' ' LEU . 4.2 mm-40 -94.46 -2.74 51.28 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.79 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD23 ' O ' ' A' ' 34' ' ' GLU . 7.5 mt -137.2 35.01 2.54 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.296 1.045 . . . . 0.0 110.005 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.782 ' H ' ' CD ' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -122.99 -44.56 0.04 OUTLIER Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 113.281 -1.781 . . . . 0.0 113.295 -177.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.782 ' CD ' ' H ' ' A' ' 36' ' ' TYR . 10.5 Cg_exo -64.3 -16.1 53.24 Favored 'Trans proline' 0 N--CA 1.422 -2.733 0 C-N-CA 123.197 2.598 . . . . 0.0 106.594 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' A' ' 41' ' ' LEU . 13.6 mt -68.02 -57.12 6.66 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 112.285 -2.234 . . . . 0.0 108.531 175.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.65 64.01 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 113.453 -1.703 . . . . 0.0 109.709 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -21.47 44.3 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 112.816 -1.993 . . . . 0.0 109.461 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.763 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.91 -13.27 60.87 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.128 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.713 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 16.7 mmt180 -104.95 14.12 29.92 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.633 177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.6 t -112.61 -54.61 2.6 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.28 -1.327 . . . . 0.0 109.575 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -70.05 -10.3 58.24 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.9 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.713 ' CE1' ' O ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -63.83 -21.91 66.66 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.636 177.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.601 ' N ' ' CD1' ' A' ' 45' ' ' PHE . . . -91.69 42.76 2.77 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.603 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.4 p -145.83 39.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -109.4 94.89 17.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.68 111.78 2.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.453 2.102 . . . . 0.0 112.262 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.63 88.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -131.66 86.53 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.898 -179.965 . . . . . . . . 0 0 . 1 stop_ save_