data_1cch_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 1cch _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' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.4 35.97 3.97 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.446 -0.901 . . . . 0.0 109.951 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.28 -48.13 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -42.29 71.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.62 -40.39 68.88 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 17.6 mt -59.84 -47.2 86.68 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.106 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 12' ' ' CYS . 7.1 t80 -51.7 -29.1 17.02 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -71.38 0.2 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.383 -0.927 . . . . 0.0 109.683 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -49.02 -27.28 3.1 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.794 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' C ' ' N ' ' A' ' 12' ' ' CYS . 14.6 mmtt -80.13 125.58 81.25 Favored Pre-proline 0 C--N 1.304 -1.38 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.416 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -54.25 -4.61 0.3 Allowed 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.202 1.934 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' N ' ' C ' ' A' ' 10' ' ' LYS . 6.6 m -53.74 -27.16 26.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.73 -33.95 62.47 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.69 65.89 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.92 -51.22 3.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.787 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -79.9 -172.41 3.36 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.865 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -152.99 -179.69 7.9 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -116.56 -39.18 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.781 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 9.0 t70 -129.17 24.32 5.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.7 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 45.3 m -157.57 -125.2 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.752 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.8 tttm 168.01 159.95 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mtp -148.87 -56.69 0.21 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.753 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.96 -57.04 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.651 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.2 168.59 23.32 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.579 ' CG ' ' CD2' ' A' ' 56' ' ' TRP . 1.4 Cg_endo -64.67 123.85 12.32 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.035 1.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' LYS . . . -49.47 137.57 14.76 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -44.7 -24.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.83 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.77 -47.13 66.98 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.125 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -72.12 -32.54 67.06 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.009 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG2' ' CZ2' ' A' ' 56' ' ' TRP . 1.3 t -72.41 -38.0 59.4 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.166 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.96 72.21 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.597 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.32 -27.14 59.16 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.637 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CG ' ' CH2' ' A' ' 56' ' ' TRP . 1.7 mmtt -74.22 -37.73 63.76 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.798 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -104.76 14.83 29.01 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.831 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -68.74 0.26 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.969 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -44.19 -34.94 3.45 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 11.9 p -95.26 63.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.761 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -47.43 -30.01 3.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.98 25.45 4.13 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . -83.99 -6.86 59.49 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.874 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.59 76.51 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -36.42 71.19 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.837 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.8 m -70.35 -33.65 71.71 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.762 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.32 -43.25 74.13 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.752 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.36 56.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.663 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -78.62 -16.95 56.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.672 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -96.14 -14.96 22.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.5 mt -89.24 -53.89 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.95 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -49.35 74.08 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.985 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -93.7 21.11 6.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.956 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.52 177.76 0.37 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.39 150.98 4.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.873 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.7 176.53 10.94 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.7 -23.25 1.66 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -75.9 -24.02 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.883 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.579 ' CD2' ' CG ' ' A' ' 25' ' ' PRO . 94.1 m95 -134.63 -43.85 0.75 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.94 170.86 40.87 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.57 27.16 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.291 1.994 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.66 93.84 44.51 Favored Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.867 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.38 137.76 72.19 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.021 1.814 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ttp -90.9 123.2 65.48 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.91 146.85 96.19 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.22 1.947 . . . . 0.0 110.338 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -60.89 133.4 47.41 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.088 1.859 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 64' ' ' ASN . 1.5 m120 -107.61 151.23 40.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.906 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -70.59 62.25 2.23 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.165 1.91 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.63 142.62 32.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 p -101.65 -176.31 3.1 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.53 -29.36 67.93 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.324 -0.951 . . . . 0.0 109.861 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.83 -52.53 42.73 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' OE1' ' NZ ' ' A' ' 10' ' ' LYS . 19.4 mt-10 -75.26 -34.78 61.41 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.84 82.17 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.841 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -69.55 -55.7 9.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.773 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.516 ' CG2' ' CD1' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -54.12 -58.49 3.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.866 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 12.0 mt -51.14 -32.0 21.49 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.775 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.519 ' CA ' ' CG2' ' A' ' 78' ' ' VAL . . . -76.3 -24.66 54.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.695 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.54 -38.07 35.06 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.344 -0.943 . . . . 0.0 109.257 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -72.77 -36.39 67.65 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.308 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.519 ' CG2' ' CA ' ' A' ' 75' ' ' ALA . 3.0 m -64.5 -37.71 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.562 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.0 -23.25 55.22 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.886 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -0.09 54.7 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.094 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -48.83 -58.75 4.33 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 C--N 1.302 -1.491 0 CA-C-O 116.334 -1.793 . . . . 0.0 109.905 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HEM . . . . . 0.5 ' O1D' ' CD1' ' A' ' 56' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.462 ' H1 ' ' HG3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.4 35.97 3.97 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.446 -0.901 . . . . 0.0 109.951 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.28 -48.13 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -42.29 71.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 8' ' ' LYS . . . -54.62 -40.39 68.88 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.945 ' CD1' HG21 ' A' ' 73' ' ' ILE . 17.6 mt -59.84 -47.2 86.68 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.106 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.802 ' CE1' ' HB2' ' A' ' 12' ' ' CYS . 7.1 t80 -51.7 -29.1 17.02 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -66.89 -71.38 0.2 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.383 -0.927 . . . . 0.0 109.683 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -49.02 -27.28 3.1 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.794 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.968 ' HG3' HD11 ' A' ' 74' ' ' LEU . 14.6 mmtt -80.13 125.58 81.25 Favored Pre-proline 0 C--N 1.304 -1.38 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.416 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -54.25 -4.61 0.3 Allowed 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.202 1.934 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.802 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 6.6 m -53.74 -27.16 26.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 7' ' ' PHE . . . -74.73 -33.95 62.47 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.032 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.69 65.89 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' C2C' ' A' ' 83' ' ' HEM . 1.2 m -105.92 -51.22 3.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.787 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.713 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 78.3 m-70 -79.9 -172.41 3.36 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -152.99 -179.69 7.9 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -116.56 -39.18 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.781 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 9.0 t70 -129.17 24.32 5.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.7 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.715 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 45.3 m -157.57 -125.2 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.752 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 20' ' ' THR . 1.8 tttm 168.01 159.95 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mtp -148.87 -56.69 0.21 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.753 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.96 -57.04 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.651 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.2 168.59 23.32 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.825 ' HG3' ' CE3' ' A' ' 56' ' ' TRP . 1.4 Cg_endo -64.67 123.85 12.32 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.035 1.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -49.47 137.57 14.76 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 78' ' ' VAL . 14.8 mt -44.7 -24.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.83 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.77 -47.13 66.98 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.125 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.651 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -72.12 -32.54 67.06 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.009 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' CZ2' ' A' ' 56' ' ' TRP . 1.3 t -72.41 -38.0 59.4 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.166 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.96 72.21 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.597 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.32 -27.14 59.16 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.637 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 1.7 mmtt -74.22 -37.73 63.76 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.798 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.569 ' HA ' HG12 ' A' ' 37' ' ' VAL . 68.6 m-80 -104.76 14.83 29.01 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.831 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -68.74 0.26 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.969 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -44.19 -34.94 3.45 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.839 HG13 ' HB2' ' A' ' 40' ' ' ALA . 11.9 p -95.26 63.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.761 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -47.43 -30.01 3.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.98 25.45 4.13 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.839 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -83.99 -6.86 59.49 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.874 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.59 76.51 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -36.42 71.19 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.837 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.8 m -70.35 -33.65 71.71 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.762 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD13 ' CMA' ' A' ' 83' ' ' HEM . 3.1 mt -69.32 -43.25 74.13 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.752 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.36 56.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.663 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 1.2 tp -78.62 -16.95 56.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.672 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' HE3' ' A' ' 61' ' ' MET . 28.3 m170 -96.14 -14.96 22.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.56 HG12 ' CHB' ' A' ' 83' ' ' HEM . 35.5 mt -89.24 -53.89 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -63.41 -49.35 74.08 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.985 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -93.7 21.11 6.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.956 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 61' ' ' MET . . . 56.52 177.76 0.37 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.39 150.98 4.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.873 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.563 ' HA ' ' O2D' ' A' ' 83' ' ' HEM . 12.1 pt20 -150.7 176.53 10.94 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.7 -23.25 1.66 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 53' ' ' GLN . 25.8 t -75.9 -24.02 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.825 ' CE3' ' HG3' ' A' ' 25' ' ' PRO . 94.1 m95 -134.63 -43.85 0.75 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 59' ' ' ILE . . . -165.94 170.86 40.87 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.57 27.16 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.291 1.994 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER -117.66 93.84 44.51 Favored Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.867 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' GLN . 4.2 Cg_exo -61.38 137.76 72.19 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.021 1.814 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.504 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 2.4 ttp -90.9 123.2 65.48 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.91 146.85 96.19 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.22 1.947 . . . . 0.0 110.338 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.4 Cg_endo -60.89 133.4 47.41 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.088 1.859 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 1.5 m120 -107.61 151.23 40.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.906 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASN . 8.6 Cg_endo -70.59 62.25 2.23 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.165 1.91 . . . . 0.0 110.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -118.63 142.62 32.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.921 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 p -101.65 -176.31 3.1 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.53 -29.36 67.93 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.324 -0.951 . . . . 0.0 109.861 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.83 -52.53 42.73 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 10' ' ' LYS . 19.4 mt-10 -75.26 -34.78 61.41 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.84 82.17 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.841 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -69.55 -55.7 9.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.773 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.945 HG21 ' CD1' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -54.12 -58.49 3.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.866 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' HG3' ' A' ' 10' ' ' LYS . 12.0 mt -51.14 -32.0 21.49 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.775 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . . . -76.3 -24.66 54.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.695 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.54 -38.07 35.06 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.344 -0.943 . . . . 0.0 109.257 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 64.6 t90 -72.77 -36.39 67.65 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 27' ' ' LEU . 3.0 m -64.5 -37.71 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.562 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 79' ' ' LEU . 12.3 mt -76.0 -23.25 55.22 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.886 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -0.09 54.7 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.094 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.79 ' CD1' ' HA ' ' A' ' 78' ' ' VAL . 3.8 mt -48.83 -58.75 4.33 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.947 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 3.4 tttp . . . . . 0 C--N 1.302 -1.491 0 CA-C-O 116.334 -1.793 . . . . 0.0 109.905 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HEM . . . . . 0.859 ' CMA' HD13 ' A' ' 44' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.462 ' H1 ' ' HG3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.4 35.97 3.97 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.446 -0.901 . . . . 0.0 109.951 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.28 -48.13 0.03 OUTLIER Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.52 -42.29 71.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 8' ' ' LYS . . . -54.62 -40.39 68.88 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.945 ' CD1' HG21 ' A' ' 73' ' ' ILE . 17.6 mt -59.84 -47.2 86.68 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.106 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.802 ' CE1' ' HB2' ' A' ' 12' ' ' CYS . 7.1 t80 -51.7 -29.1 17.02 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -66.89 -71.38 0.2 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.383 -0.927 . . . . 0.0 109.683 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -49.02 -27.28 3.1 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.794 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.968 ' HG3' HD11 ' A' ' 74' ' ' LEU . 14.6 mmtt -80.13 125.58 81.25 Favored Pre-proline 0 C--N 1.304 -1.38 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.416 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -54.25 -4.61 0.3 Allowed 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.202 1.934 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.802 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 6.6 m -53.74 -27.16 26.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 7' ' ' PHE . . . -74.73 -33.95 62.47 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.032 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.69 65.89 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' C2C' ' A' ' 83' ' ' HEM . 1.2 m -105.92 -51.22 3.02 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.787 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.713 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 78.3 m-70 -79.9 -172.41 3.36 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -152.99 -179.69 7.9 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 19' ' ' ASP . 1.0 OUTLIER -116.56 -39.18 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.781 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 9.0 t70 -129.17 24.32 5.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.7 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.715 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 45.3 m -157.57 -125.2 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 C-N-CA 119.469 -0.893 . . . . 0.0 109.752 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 20' ' ' THR . 1.8 tttm 168.01 159.95 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 mtp -148.87 -56.69 0.21 Allowed 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.753 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.96 -57.04 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.651 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.2 168.59 23.32 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.825 ' HG3' ' CE3' ' A' ' 56' ' ' TRP . 1.4 Cg_endo -64.67 123.85 12.32 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.035 1.823 . . . . 0.0 110.115 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 20' ' ' THR . . . -49.47 137.57 14.76 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HG12 ' A' ' 78' ' ' VAL . 14.8 mt -44.7 -24.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.441 -0.904 . . . . 0.0 109.83 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.77 -47.13 66.98 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.125 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.651 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -72.12 -32.54 67.06 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.009 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG22 ' CZ2' ' A' ' 56' ' ' TRP . 1.3 t -72.41 -38.0 59.4 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.166 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.87 -34.96 72.21 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.597 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.32 -27.14 59.16 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.637 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 1.7 mmtt -74.22 -37.73 63.76 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.798 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.569 ' HA ' HG12 ' A' ' 37' ' ' VAL . 68.6 m-80 -104.76 14.83 29.01 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.831 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -68.74 0.26 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.969 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -44.19 -34.94 3.45 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.839 HG13 ' HB2' ' A' ' 40' ' ' ALA . 11.9 p -95.26 63.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.761 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -47.43 -30.01 3.06 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.98 25.45 4.13 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.839 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -83.99 -6.86 59.49 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 119.417 -0.913 . . . . 0.0 109.874 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.59 76.51 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 119.385 -0.926 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -36.42 71.19 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.837 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.8 m -70.35 -33.65 71.71 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.762 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD13 ' CMA' ' A' ' 83' ' ' HEM . 3.1 mt -69.32 -43.25 74.13 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.752 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.36 56.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.663 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 1.2 tp -78.62 -16.95 56.77 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.422 -0.911 . . . . 0.0 109.672 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' HE3' ' A' ' 61' ' ' MET . 28.3 m170 -96.14 -14.96 22.42 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 119.506 -0.877 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.56 HG12 ' CHB' ' A' ' 83' ' ' HEM . 35.5 mt -89.24 -53.89 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.95 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.609 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -63.41 -49.35 74.08 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.985 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -93.7 21.11 6.73 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.956 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 61' ' ' MET . . . 56.52 177.76 0.37 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.39 150.98 4.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.873 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.563 ' HA ' ' O2D' ' A' ' 83' ' ' HEM . 12.1 pt20 -150.7 176.53 10.94 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.7 -23.25 1.66 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 53' ' ' GLN . 25.8 t -75.9 -24.02 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.825 ' CE3' ' HG3' ' A' ' 25' ' ' PRO . 94.1 m95 -134.63 -43.85 0.75 Allowed 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.098 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 59' ' ' ILE . . . -165.94 170.86 40.87 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.57 27.16 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.291 1.994 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER -117.66 93.84 44.51 Favored Pre-proline 0 N--CA 1.486 1.331 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.867 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' GLN . 4.2 Cg_exo -61.38 137.76 72.19 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.021 1.814 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.504 ' HB2' ' C1D' ' A' ' 83' ' ' HEM . 2.4 ttp -90.9 123.2 65.48 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.91 146.85 96.19 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.22 1.947 . . . . 0.0 110.338 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.4 Cg_endo -60.89 133.4 47.41 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.088 1.859 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 1.5 m120 -107.61 151.23 40.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.906 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASN . 8.6 Cg_endo -70.59 62.25 2.23 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.165 1.91 . . . . 0.0 110.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -118.63 142.62 32.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 C-N-CA 119.174 -1.01 . . . . 0.0 109.921 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 p -101.65 -176.31 3.1 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.53 -29.36 67.93 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.324 -0.951 . . . . 0.0 109.861 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.83 -52.53 42.73 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 10' ' ' LYS . 19.4 mt-10 -75.26 -34.78 61.41 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.84 82.17 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.841 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -69.55 -55.7 9.41 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.773 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.945 HG21 ' CD1' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -54.12 -58.49 3.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.866 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' HG3' ' A' ' 10' ' ' LYS . 12.0 mt -51.14 -32.0 21.49 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.775 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . . . -76.3 -24.66 54.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.695 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.54 -38.07 35.06 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.344 -0.943 . . . . 0.0 109.257 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 64.6 t90 -72.77 -36.39 67.65 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.002 HG12 HD13 ' A' ' 27' ' ' LEU . 3.0 m -64.5 -37.71 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.562 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 79' ' ' LEU . 12.3 mt -76.0 -23.25 55.22 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.886 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -0.09 54.7 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.094 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.79 ' CD1' ' HA ' ' A' ' 78' ' ' VAL . 3.8 mt -48.83 -58.75 4.33 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.274 -0.97 . . . . 0.0 109.947 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 3.4 tttp . . . . . 0 C--N 1.302 -1.491 0 CA-C-O 116.334 -1.793 . . . . 0.0 109.905 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HEM . . . . . 0.859 ' CMA' HD13 ' A' ' 44' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_