data_1cor_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 1cor _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.437 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.4 -0.333 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.0 -14.25 0.14 Allowed 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.821 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 1' ' ' PCA . . . -87.45 -45.09 5.37 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.8 -40.48 69.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.924 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.14 -68.39 0.23 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.861 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' CD1' ' OE1' ' A' ' 70' ' ' GLU . 4.3 mt -49.85 -51.62 38.7 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.847 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 11.3 t80 -54.28 -25.83 25.79 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -75.44 -43.37 50.03 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.82 -17.92 52.13 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.354 -0.938 . . . . 0.0 109.064 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -101.1 127.92 30.76 Favored Pre-proline 0 C--N 1.302 -1.482 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.111 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' ALA . 2.6 Cg_exo -55.32 4.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.304 2.002 . . . . 0.0 111.152 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 10' ' ' LYS . 22.1 m -42.75 -23.06 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 7' ' ' PHE . . . -75.35 -48.94 20.72 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.696 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.79 -24.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.582 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.4 m -121.34 -33.21 3.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.687 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' CYS . 74.1 m-70 -105.38 106.09 16.43 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.075 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -98.67 148.5 23.76 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.978 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -18.54 7.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.731 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.93 -2.33 10.86 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -147.46 -174.48 4.54 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.043 0.839 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -132.69 137.62 46.99 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.145 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' CG ' ' OG ' ' A' ' 17' ' ' SER . 10.0 mt -123.57 -94.1 0.5 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.447 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 t -95.98 -49.93 11.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 124.166 0.916 . . . . 0.0 109.444 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.0 177.48 32.69 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . 6.6 Cg_endo -62.95 131.86 34.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.355 2.037 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 20' ' ' ALA . . . -57.98 128.16 35.7 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.125 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 2.0 m-30 -41.54 -31.22 0.25 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' CG ' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.73 -39.07 70.36 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.689 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -78.29 -26.9 47.22 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.473 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 78' ' ' ILE . 2.3 t -73.64 -44.67 52.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 124.395 1.059 . . . . 0.0 108.886 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -63.7 -43.24 97.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 124.339 1.024 . . . . 0.0 109.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.55 -35.01 73.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.721 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -75.73 -54.88 6.26 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.472 ' OH ' ' CG1' ' A' ' 55' ' ' VAL . 19.4 m-85 -96.72 34.38 1.69 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.189 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' C ' ' N ' ' A' ' 37' ' ' GLN . . . -72.39 138.68 47.37 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.85 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.78 17.33 0.8 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -90.21 58.58 4.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.746 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.87 143.85 0.49 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 124.388 1.055 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.45 -27.17 11.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.38 32.58 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.409 -0.917 . . . . 0.0 109.86 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -51.86 -34.15 39.57 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.146 -1.021 . . . . 0.0 109.544 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -41.71 92.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 8.6 mt -71.4 -32.84 68.9 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.09 -39.42 79.04 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -38.95 66.43 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.422 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.74 92.24 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.886 -1.685 . . . . 0.0 108.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.509 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 7.5 m170 -67.14 -29.2 68.85 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.722 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -50.63 8.42 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.809 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.34 11.2 3.07 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 47' ' ' HIS . . . 67.35 160.93 1.33 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.407 ' OG ' ' CBA' ' A' ' 83' ' ' HEM . 1.3 t -131.65 156.58 45.59 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.881 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.05 128.36 0.16 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.61 -14.09 32.54 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG1' ' OH ' ' A' ' 34' ' ' TYR . 2.0 t -91.16 -19.32 7.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.51 ' N ' ' O1D' ' A' ' 83' ' ' HEM . 86.9 m95 -143.6 -89.09 0.12 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.314 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' O2D' ' A' ' 83' ' ' HEM . . . -92.32 163.17 27.48 Favored Glycine 0 N--CA 1.49 2.24 0 C-N-CA 119.411 -1.376 . . . . 0.0 109.926 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.36 -27.72 33.77 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.32 2.014 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 22.1 pt -79.92 121.41 82.12 Favored Pre-proline 0 C--N 1.306 -1.302 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.187 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -61.92 178.22 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.153 1.902 . . . . 0.0 110.211 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.46 ' O ' ' CA ' ' A' ' 51' ' ' GLY . 5.6 ttp -130.51 117.1 17.53 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.958 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.39 156.64 39.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.171 1.914 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.72 167.87 7.81 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CBB' ' A' ' 83' ' ' HEM . 87.9 m-20 -129.28 165.62 31.25 Favored Pre-proline 0 N--CA 1.486 1.359 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.5 7.83 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.302 2.001 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' A' ' 67' ' ' THR . 1.3 m -79.89 -174.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.94 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -143.07 -155.94 0.64 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.837 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' N ' ' OG1' ' A' ' 67' ' ' THR . 11.5 mt-10 -66.77 -71.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.795 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.5 -28.77 60.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 123.985 0.803 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.453 ' OE1' ' CD1' ' A' ' 6' ' ' LEU . 56.7 mm-40 -74.98 -25.48 58.88 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.889 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.09 -43.64 10.35 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -55.18 -62.49 1.63 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.715 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -43.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.764 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 5.8 mp -64.57 -31.84 73.23 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.155 -1.018 . . . . 0.0 108.625 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -72.42 -49.46 33.45 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.491 1.119 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.31 -35.68 81.73 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.266 -0.973 . . . . 0.0 109.728 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.412 ' CH2' ' OE1' ' A' ' 81' ' ' GLN . 71.6 t90 -74.14 -40.27 62.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.457 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.524 ' CG2' ' CG1' ' A' ' 30' ' ' VAL . 16.1 mt -65.9 -32.87 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 119.459 -0.897 . . . . 0.0 109.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -83.25 -29.54 28.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.419 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.55 27.85 9.14 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.533 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' OE1' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -49.65 119.85 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.057 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.5 tttm . . . . . 0 C--N 1.304 -1.376 0 CA-C-O 116.312 -1.804 . . . . 0.0 109.945 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.51 ' O1D' ' N ' ' A' ' 56' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.437 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.4 -0.333 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.0 -14.25 0.14 Allowed 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.821 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.804 ' HA3' ' CG ' ' A' ' 77' ' ' TRP . . . -87.45 -45.09 5.37 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.813 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -54.8 -40.48 69.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.924 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 8' ' ' LYS . . . -57.14 -68.39 0.23 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.008 ' HB2' HD11 ' A' ' 74' ' ' LEU . 4.3 mt -49.85 -51.62 38.7 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.847 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.768 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 11.3 t80 -54.28 -25.83 25.79 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 5.7 mmtt -75.44 -43.37 50.03 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.85 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.82 -17.92 52.13 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.354 -0.938 . . . . 0.0 109.064 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.589 ' C ' ' H ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -101.1 127.92 30.76 Favored Pre-proline 0 C--N 1.302 -1.482 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.111 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' ALA . 2.6 Cg_exo -55.32 4.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.304 2.002 . . . . 0.0 111.152 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m -42.75 -23.06 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.768 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -75.35 -48.94 20.72 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.696 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.79 -24.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.582 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.4 m -121.34 -33.21 3.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.687 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.804 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 74.1 m-70 -105.38 106.09 16.43 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.075 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.64 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -98.67 148.5 23.76 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.978 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.72 -18.54 7.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.731 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.93 -2.33 10.86 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 17' ' ' SER . . . -147.46 -174.48 4.54 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.043 0.839 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 22' ' ' LEU . 16.3 ttpt -132.69 137.62 46.99 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.145 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 21' ' ' LYS . 10.0 mt -123.57 -94.1 0.5 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.447 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HHD' ' A' ' 83' ' ' HEM . 3.8 t -95.98 -49.93 11.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 124.166 0.916 . . . . 0.0 109.444 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.0 177.48 32.69 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 1.05 ' HB2' HG23 ' A' ' 30' ' ' VAL . 6.6 Cg_endo -62.95 131.86 34.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.355 2.037 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -57.98 128.16 35.7 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.125 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.712 ' CB ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -41.54 -31.22 0.25 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.73 -39.07 70.36 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.689 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -78.29 -26.9 47.22 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.473 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' HB2' ' A' ' 25' ' ' PRO . 2.3 t -73.64 -44.67 52.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 124.395 1.059 . . . . 0.0 108.886 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -63.7 -43.24 97.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 124.339 1.024 . . . . 0.0 109.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.55 -35.01 73.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.721 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -75.73 -54.88 6.26 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 79' ' ' LEU . 19.4 m-85 -96.72 34.38 1.69 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.189 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . -72.39 138.68 47.37 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.85 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.78 17.33 0.8 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 34' ' ' TYR . 4.6 mm-40 -90.21 58.58 4.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.746 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.87 143.85 0.49 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 124.388 1.055 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.45 -27.17 11.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 44' ' ' LEU . . . -74.61 -47.38 32.58 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.409 -0.917 . . . . 0.0 109.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 75' ' ' ALA . . . -51.86 -34.15 39.57 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.146 -1.021 . . . . 0.0 109.544 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -41.71 92.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 40' ' ' ALA . 8.6 mt -71.4 -32.84 68.9 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 40' ' ' ALA . 23.4 mt -69.09 -39.42 79.04 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -54.27 -38.95 66.43 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.74 92.24 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.886 -1.685 . . . . 0.0 108.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' HB3' ' CB ' ' A' ' 52' ' ' SER . 7.5 m170 -67.14 -29.2 68.85 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.722 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ALA . 58.6 mt -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HE2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -82.86 -50.63 8.42 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.809 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.34 11.2 3.07 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 61' ' ' MET . . . 67.35 160.93 1.33 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.679 ' CB ' ' HB3' ' A' ' 47' ' ' HIS . 1.3 t -131.65 156.58 45.59 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.881 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HA ' ' O2D' ' A' ' 83' ' ' HEM . 0.8 OUTLIER -177.05 128.36 0.16 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.858 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.61 -14.09 32.54 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.937 HG21 ' O1A' ' A' ' 83' ' ' HEM . 2.0 t -91.16 -19.32 7.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.868 ' CG ' ' HG3' ' A' ' 25' ' ' PRO . 86.9 m95 -143.6 -89.09 0.12 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.314 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' O2D' ' A' ' 83' ' ' HEM . . . -92.32 163.17 27.48 Favored Glycine 0 N--CA 1.49 2.24 0 C-N-CA 119.411 -1.376 . . . . 0.0 109.926 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.36 -27.72 33.77 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.32 2.014 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.632 ' O ' HG13 ' A' ' 59' ' ' ILE . 22.1 pt -79.92 121.41 82.12 Favored Pre-proline 0 C--N 1.306 -1.302 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.187 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.717 ' HA ' ' HB2' ' A' ' 53' ' ' GLN . 2.3 Cg_endo -61.92 178.22 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.153 1.902 . . . . 0.0 110.211 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.522 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 5.6 ttp -130.51 117.1 17.53 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.958 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 3.9 Cg_exo -60.39 156.64 39.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.171 1.914 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 3.0 Cg_endo -60.72 167.87 7.81 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.738 ' HB2' HG13 ' A' ' 66' ' ' VAL . 18.9 m120 -129.28 165.62 31.25 Favored Pre-proline 0 N--CA 1.486 1.359 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 64' ' ' ASN . 1.6 Cg_endo -64.5 7.83 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.302 2.001 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 67' ' ' THR . 1.3 m -79.89 -174.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.94 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.914 ' H ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -143.07 -155.94 0.64 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.837 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 11.5 mt-10 -66.77 -71.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.795 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.5 -28.77 60.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 123.985 0.803 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.946 ' OE1' HD13 ' A' ' 6' ' ' LEU . 56.7 mm-40 -74.98 -25.48 58.88 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.889 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.09 -43.64 10.35 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -55.18 -62.49 1.63 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.715 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.884 HG22 HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -45.61 -43.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.764 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' HB2' ' A' ' 6' ' ' LEU . 5.8 mp -64.57 -31.84 73.23 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.155 -1.018 . . . . 0.0 108.625 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.644 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -72.42 -49.46 33.45 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.491 1.119 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' SER . 19.3 mt-10 -65.31 -35.68 81.73 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.266 -0.973 . . . . 0.0 109.728 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CZ2' ' HG2' ' A' ' 4' ' ' GLU . 71.6 t90 -74.14 -40.27 62.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.457 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.628 ' CG2' HG11 ' A' ' 30' ' ' VAL . 16.1 mt -65.9 -32.87 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 119.459 -0.897 . . . . 0.0 109.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -83.25 -29.54 28.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.419 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -109.55 27.85 9.14 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.533 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HG3' ' HA ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -49.65 119.85 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.057 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.5 tttm . . . . . 0 C--N 1.304 -1.376 0 CA-C-O 116.312 -1.804 . . . . 0.0 109.945 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.937 ' O1A' HG21 ' A' ' 55' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.437 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 119.4 -0.333 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -50.0 -14.25 0.14 Allowed 'General case' 0 C--N 1.305 -1.358 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.821 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.804 ' HA3' ' CG ' ' A' ' 77' ' ' TRP . . . -87.45 -45.09 5.37 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.813 ' HG2' ' CZ2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -54.8 -40.48 69.55 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.924 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 8' ' ' LYS . . . -57.14 -68.39 0.23 Allowed 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.008 ' HB2' HD11 ' A' ' 74' ' ' LEU . 4.3 mt -49.85 -51.62 38.7 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.847 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.768 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 11.3 t80 -54.28 -25.83 25.79 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 5.7 mmtt -75.44 -43.37 50.03 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.85 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.82 -17.92 52.13 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.354 -0.938 . . . . 0.0 109.064 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.589 ' C ' ' H ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -101.1 127.92 30.76 Favored Pre-proline 0 C--N 1.302 -1.482 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.111 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' ALA . 2.6 Cg_exo -55.32 4.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.304 2.002 . . . . 0.0 111.152 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m -42.75 -23.06 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.768 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -75.35 -48.94 20.72 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.696 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.79 -24.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.582 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 4.4 m -121.34 -33.21 3.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.687 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.804 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 74.1 m-70 -105.38 106.09 16.43 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.075 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.64 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -98.67 148.5 23.76 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.978 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.72 -18.54 7.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.731 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.93 -2.33 10.86 Favored 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' A' ' 17' ' ' SER . . . -147.46 -174.48 4.54 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.043 0.839 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 22' ' ' LEU . 16.3 ttpt -132.69 137.62 46.99 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.144 -1.022 . . . . 0.0 110.145 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 21' ' ' LYS . 10.0 mt -123.57 -94.1 0.5 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.639 -0.824 . . . . 0.0 109.447 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HHD' ' A' ' 83' ' ' HEM . 3.8 t -95.98 -49.93 11.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 124.166 0.916 . . . . 0.0 109.444 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.0 177.48 32.69 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 1.05 ' HB2' HG23 ' A' ' 30' ' ' VAL . 6.6 Cg_endo -62.95 131.86 34.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.355 2.037 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -57.98 128.16 35.7 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.125 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.712 ' CB ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -41.54 -31.22 0.25 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.684 -0.806 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.73 -39.07 70.36 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.045 -1.062 . . . . 0.0 109.689 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -78.29 -26.9 47.22 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.473 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' HB2' ' A' ' 25' ' ' PRO . 2.3 t -73.64 -44.67 52.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 124.395 1.059 . . . . 0.0 108.886 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -63.7 -43.24 97.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 124.339 1.024 . . . . 0.0 109.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.55 -35.01 73.39 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.721 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -75.73 -54.88 6.26 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 79' ' ' LEU . 19.4 m-85 -96.72 34.38 1.69 Allowed 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.189 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . -72.39 138.68 47.37 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.85 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.78 17.33 0.8 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -90.21 58.58 4.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.746 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.87 143.85 0.49 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 124.388 1.055 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.45 -27.17 11.06 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 44' ' ' LEU . . . -74.61 -47.38 32.58 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 119.409 -0.917 . . . . 0.0 109.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 75' ' ' ALA . . . -51.86 -34.15 39.57 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.146 -1.021 . . . . 0.0 109.544 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -41.71 92.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 40' ' ' ALA . 8.6 mt -71.4 -32.84 68.9 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.526 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 40' ' ' ALA . 23.4 mt -69.09 -39.42 79.04 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -54.27 -38.95 66.43 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.74 92.24 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.886 -1.685 . . . . 0.0 108.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.679 ' HB3' ' CB ' ' A' ' 52' ' ' SER . 7.5 m170 -67.14 -29.2 68.85 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.511 -0.876 . . . . 0.0 109.722 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ALA . 58.6 mt -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HE2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -82.86 -50.63 8.42 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.809 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.34 11.2 3.07 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 61' ' ' MET . . . 67.35 160.93 1.33 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.679 ' CB ' ' HB3' ' A' ' 47' ' ' HIS . 1.3 t -131.65 156.58 45.59 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.881 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HA ' ' O2D' ' A' ' 83' ' ' HEM . 0.8 OUTLIER -177.05 128.36 0.16 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.858 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.61 -14.09 32.54 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.937 HG21 ' O1A' ' A' ' 83' ' ' HEM . 2.0 t -91.16 -19.32 7.14 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.63 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.868 ' CG ' ' HG3' ' A' ' 25' ' ' PRO . 86.9 m95 -143.6 -89.09 0.12 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.314 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' O2D' ' A' ' 83' ' ' HEM . . . -92.32 163.17 27.48 Favored Glycine 0 N--CA 1.49 2.24 0 C-N-CA 119.411 -1.376 . . . . 0.0 109.926 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.36 -27.72 33.77 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.32 2.014 . . . . 0.0 110.437 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.632 ' O ' HG13 ' A' ' 59' ' ' ILE . 22.1 pt -79.92 121.41 82.12 Favored Pre-proline 0 C--N 1.306 -1.302 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.187 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.717 ' HA ' ' HB2' ' A' ' 53' ' ' GLN . 2.3 Cg_endo -61.92 178.22 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.153 1.902 . . . . 0.0 110.211 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.522 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 5.6 ttp -130.51 117.1 17.53 Favored Pre-proline 0 N--CA 1.487 1.408 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.958 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 3.9 Cg_exo -60.39 156.64 39.99 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.171 1.914 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 3.0 Cg_endo -60.72 167.87 7.81 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.738 ' HB2' HG13 ' A' ' 66' ' ' VAL . 87.9 m-20 -129.28 165.62 31.25 Favored Pre-proline 0 N--CA 1.486 1.359 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 64' ' ' ASN . 1.6 Cg_endo -64.5 7.83 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.302 2.001 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 67' ' ' THR . 1.3 m -79.89 -174.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.94 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.914 ' H ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -143.07 -155.94 0.64 Allowed 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 119.141 -1.024 . . . . 0.0 109.837 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 11.5 mt-10 -66.77 -71.77 0.19 Allowed 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 119.292 -0.963 . . . . 0.0 109.795 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -56.5 -28.77 60.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 123.985 0.803 . . . . 0.0 110.171 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.946 ' OE1' HD13 ' A' ' 6' ' ' LEU . 56.7 mm-40 -74.98 -25.48 58.88 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.889 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.09 -43.64 10.35 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -55.18 -62.49 1.63 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.715 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.884 HG22 HD12 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -45.61 -43.19 3.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 C-N-CA 119.171 -1.012 . . . . 0.0 109.764 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' HB2' ' A' ' 6' ' ' LEU . 5.8 mp -64.57 -31.84 73.23 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.155 -1.018 . . . . 0.0 108.625 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.644 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -72.42 -49.46 33.45 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.491 1.119 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' SER . 19.3 mt-10 -65.31 -35.68 81.73 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 119.266 -0.973 . . . . 0.0 109.728 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CZ2' ' HG2' ' A' ' 4' ' ' GLU . 71.6 t90 -74.14 -40.27 62.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.457 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.628 ' CG2' HG11 ' A' ' 30' ' ' VAL . 16.1 mt -65.9 -32.87 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 119.459 -0.897 . . . . 0.0 109.851 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -83.25 -29.54 28.35 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.284 -0.966 . . . . 0.0 109.419 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -109.55 27.85 9.14 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.533 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.51 ' HG3' ' HA ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -49.65 119.85 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.057 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.5 tttm . . . . . 0 C--N 1.304 -1.376 0 CA-C-O 116.312 -1.804 . . . . 0.0 109.945 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.937 ' O1A' HG21 ' A' ' 55' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_