data_1bdd_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 1bdd _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' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' ASP . 9.5 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.783 0.325 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.88 -95.43 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.801 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 1' ' ' THR . 4.6 t70 56.39 60.39 3.17 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.36 -0.936 . . . . 1.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.546 HD21 ' H ' ' A' ' 5' ' ' LYS . 1.1 t-20 -115.02 137.22 52.25 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.993 -0.683 . . . . 1.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' HD21 ' A' ' 4' ' ' ASN . 3.2 tptm -168.03 53.48 0.06 Allowed 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 119.307 -0.957 . . . . 1.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.54 ' CZ ' ' OG ' ' A' ' 42' ' ' SER . 1.7 m-85 -110.81 101.85 10.42 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -154.84 -38.46 0.09 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.445 -0.798 . . . . 1.0 109.886 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.57 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.978 -1.01 . . . . 1.0 110.981 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 163.64 -25.61 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 119.787 -0.765 . . . . 1.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' A' ' 10' ' ' GLN . 13.6 mp0 -46.57 -41.38 14.34 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.134 0.791 . . . . 1.0 113.134 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -61.86 -73.1 0.11 Allowed 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.973 -1.091 . . . . 1.0 111.122 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.615 ' ND2' ' N ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -56.48 -41.71 77.05 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.382 -0.927 . . . . 1.0 110.54 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.615 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -55.19 -59.36 4.89 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.092 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' GLU . 11.3 t80 -40.15 -70.69 0.1 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.771 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -46.15 -20.56 0.1 Allowed 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.439 -1.304 . . . . 1.0 111.763 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -83.81 -66.12 0.93 Allowed 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.498 -0.881 . . . . 1.0 111.791 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -39.82 -26.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.954 -0.698 . . . . 1.0 111.302 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.4 mm? -80.27 33.07 0.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.704 -0.799 . . . . 1.0 111.859 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' PRO . 35.9 m-70 -145.9 -21.59 0.46 Allowed 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.618 -1.233 . . . . 1.0 112.587 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' HIS . 41.4 mt -37.66 94.12 0.07 OUTLIER Pre-proline 0 N--CA 1.502 2.137 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' HIS . 9.9 Cg_endo -68.35 -1.1 6.7 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.719 1.612 . . . . 1.0 115.244 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -95.38 -20.31 19.21 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 117.914 -1.514 . . . . 1.0 114.527 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.96 169.16 9.61 Favored 'General case' 0 N--CA 1.517 2.903 0 C-N-CA 117.862 -1.535 . . . . 1.0 112.012 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -82.88 158.61 22.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.933 -1.031 . . . . 1.0 109.311 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.6 mt-10 -82.56 -16.47 48.44 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 118.139 -1.425 . . . . 1.0 112.832 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.81 -60.2 3.56 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.118 -1.833 . . . . 1.0 108.099 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.33 -51.64 55.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.348 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' C ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 118.022 -1.471 . . . . 1.0 110.207 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.7 t30 -47.82 -23.72 0.81 Allowed 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.112 -1.435 . . . . 1.0 108.053 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -59.04 -63.1 5.5 Favored Glycine 0 N--CA 1.48 1.628 0 C-N-CA 119.838 -1.173 . . . . 1.0 110.939 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -50.34 -57.9 6.88 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 116.331 -2.148 . . . . 1.0 111.034 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 14.2 pt -62.79 -24.86 36.83 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 118.174 -1.41 . . . . 1.0 111.595 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' ASN . 9.3 tt0 -51.87 -28.67 16.8 Favored 'General case' 0 CA--C 1.498 -1.038 0 C-N-CA 116.176 -2.21 . . . . 1.0 106.387 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -81.61 -31.12 32.63 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 113.962 -1.472 . . . . 1.0 109.364 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.9 tt -55.89 -54.8 40.26 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 119.164 -1.015 . . . . 1.0 109.626 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -51.66 34.39 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 119.591 -0.844 . . . . 1.0 111.666 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.02 -40.4 89.2 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.852 -1.139 . . . . 1.0 110.761 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -140.17 83.45 15.73 Favored Pre-proline 0 C--N 1.299 -1.628 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 1.6 Cg_endo -69.68 42.07 0.33 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 121.612 1.542 . . . . 1.0 112.178 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 41' ' ' GLN . 92.3 p -91.0 -58.91 2.31 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.301 -0.96 . . . . 1.0 110.718 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' OG ' ' A' ' 40' ' ' SER . 3.8 mt-30 -108.51 27.31 9.51 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.052 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.54 ' OG ' ' CZ ' ' A' ' 6' ' ' PHE . 93.1 p -47.03 -37.84 9.96 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.897 -0.721 . . . . 1.0 111.646 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.12 66.57 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.528 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -52.83 -47.49 67.66 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.72 -0.792 . . . . 1.0 111.991 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -56.12 -42.75 77.36 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 117.815 -1.554 . . . . 1.0 108.767 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -47.67 -43.31 26.26 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.186 -1.006 . . . . 1.0 109.609 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.9 -43.12 95.02 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.535 -1.266 . . . . 1.0 109.626 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -30.74 70.76 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.302 -0.863 . . . . 1.0 111.579 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -71.0 -65.78 0.7 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.696 -1.202 . . . . 1.0 111.391 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ALA . 7.7 mmtt -41.41 -29.5 0.15 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.276 -0.97 . . . . 1.0 109.066 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ALA . 12.0 ttmt -72.96 -47.57 44.22 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 118.971 -1.091 . . . . 1.0 109.122 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -63.55 -23.0 67.2 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 119.379 -0.928 . . . . 1.0 109.223 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' A' ' 57' ' ' ALA . 61.9 t30 -83.69 -63.55 1.33 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 119.444 -0.902 . . . . 1.0 110.706 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -39.84 -36.08 0.41 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.749 -0.78 . . . . 1.0 111.226 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.28 -54.02 8.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.019 -1.072 . . . . 1.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.94 19.17 10.67 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.015 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ASN . . . -77.66 -52.6 1.65 Allowed Pre-proline 0 N--CA 1.482 1.174 0 C-N-CA 117.831 -1.548 . . . . 1.0 112.412 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -63.5 171.46 6.76 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.546 0.831 . . . . 1.0 111.447 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 45.8 1.05 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.481 -0.888 . . . . 1.0 110.494 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 116.303 -1.808 . . . . 1.0 110.892 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' ASP . 9.5 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.783 0.325 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.88 -95.43 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.801 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 1' ' ' THR . 4.6 t70 56.39 60.39 3.17 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.36 -0.936 . . . . 1.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -115.02 137.22 52.25 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.993 -0.683 . . . . 1.0 110.985 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -168.03 53.48 0.06 Allowed 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 119.307 -0.957 . . . . 1.0 110.969 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 39' ' ' PRO . 1.7 m-85 -110.81 101.85 10.42 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -154.84 -38.46 0.09 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.445 -0.798 . . . . 1.0 109.886 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.57 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.978 -1.01 . . . . 1.0 110.981 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' HA ' HD22 ' A' ' 12' ' ' ASN . 0.5 OUTLIER 163.64 -25.61 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 119.787 -0.765 . . . . 1.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 13.6 mp0 -46.57 -41.38 14.34 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.134 0.791 . . . . 1.0 113.134 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -61.86 -73.1 0.11 Allowed 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.973 -1.091 . . . . 1.0 111.122 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.52 HD22 ' HA ' ' A' ' 9' ' ' GLU . 8.1 p30 -56.48 -41.71 77.05 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.382 -0.927 . . . . 1.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' CB ' HD22 ' A' ' 46' ' ' LEU . . . -55.19 -59.36 4.89 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.092 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' GLU . 11.3 t80 -40.15 -70.69 0.1 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.771 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -46.15 -20.56 0.1 Allowed 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.439 -1.304 . . . . 1.0 111.763 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -83.81 -66.12 0.93 Allowed 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.498 -0.881 . . . . 1.0 111.791 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -39.82 -26.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.954 -0.698 . . . . 1.0 111.302 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 18' ' ' LEU . 4.4 mm? -80.27 33.07 0.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.704 -0.799 . . . . 1.0 111.859 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' PRO . 35.9 m-70 -145.9 -21.59 0.46 Allowed 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.618 -1.233 . . . . 1.0 112.587 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD22 ' CG ' ' A' ' 53' ' ' ASN . 41.4 mt -37.66 94.12 0.07 OUTLIER Pre-proline 0 N--CA 1.502 2.137 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' HIS . 9.9 Cg_endo -68.35 -1.1 6.7 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.719 1.612 . . . . 1.0 115.244 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.811 ' C ' HD13 ' A' ' 23' ' ' LEU . 4.5 m120 -95.38 -20.31 19.21 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 117.914 -1.514 . . . . 1.0 114.527 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.811 HD13 ' C ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -116.96 169.16 9.61 Favored 'General case' 0 N--CA 1.517 2.903 0 C-N-CA 117.862 -1.535 . . . . 1.0 112.012 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -82.88 158.61 22.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.933 -1.031 . . . . 1.0 109.311 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.6 mt-10 -82.56 -16.47 48.44 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 118.139 -1.425 . . . . 1.0 112.832 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.81 -60.2 3.56 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.118 -1.833 . . . . 1.0 108.099 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.33 -51.64 55.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.348 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 118.022 -1.471 . . . . 1.0 110.207 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.7 t30 -47.82 -23.72 0.81 Allowed 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.112 -1.435 . . . . 1.0 108.053 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -59.04 -63.1 5.5 Favored Glycine 0 N--CA 1.48 1.628 0 C-N-CA 119.838 -1.173 . . . . 1.0 110.939 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HD1' HG23 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -50.34 -57.9 6.88 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 116.331 -2.148 . . . . 1.0 111.034 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG23 ' HD1' ' A' ' 31' ' ' PHE . 14.2 pt -62.79 -24.86 36.83 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 118.174 -1.41 . . . . 1.0 111.595 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ASN . 57.0 tt0 -51.87 -28.67 16.8 Favored 'General case' 0 CA--C 1.498 -1.038 0 C-N-CA 116.176 -2.21 . . . . 1.0 106.387 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.443 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -81.61 -31.12 32.63 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 113.962 -1.472 . . . . 1.0 109.364 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 42' ' ' SER . 5.9 tt -55.89 -54.8 40.26 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 119.164 -1.015 . . . . 1.0 109.626 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.41 -51.66 34.39 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 119.591 -0.844 . . . . 1.0 111.666 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.02 -40.4 89.2 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.852 -1.139 . . . . 1.0 110.761 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.17 83.45 15.73 Favored Pre-proline 0 C--N 1.299 -1.628 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 1.6 Cg_endo -69.68 42.07 0.33 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 121.612 1.542 . . . . 1.0 112.178 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 41' ' ' GLN . 92.3 p -91.0 -58.91 2.31 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.301 -0.96 . . . . 1.0 110.718 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' OG ' ' A' ' 40' ' ' SER . 3.8 mt-30 -108.51 27.31 9.51 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.052 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 35' ' ' LEU . 93.1 p -47.03 -37.84 9.96 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.897 -0.721 . . . . 1.0 111.646 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . . . -60.48 -52.12 66.57 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.528 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -52.83 -47.49 67.66 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.72 -0.792 . . . . 1.0 111.991 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -56.12 -42.75 77.36 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 117.815 -1.554 . . . . 1.0 108.767 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.67 -43.31 26.26 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.186 -1.006 . . . . 1.0 109.609 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.488 ' N ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.9 -43.12 95.02 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.535 -1.266 . . . . 1.0 109.626 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -30.74 70.76 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.302 -0.863 . . . . 1.0 111.579 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -71.0 -65.78 0.7 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.696 -1.202 . . . . 1.0 111.391 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HG2' ' H ' ' A' ' 50' ' ' LYS . 7.7 mmtt -41.41 -29.5 0.15 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.276 -0.97 . . . . 1.0 109.066 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ALA . 12.0 ttmt -72.96 -47.57 44.22 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 118.971 -1.091 . . . . 1.0 109.122 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -63.55 -23.0 67.2 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 119.379 -0.928 . . . . 1.0 109.223 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.609 ' N ' HD23 ' A' ' 52' ' ' LEU . 61.9 t30 -83.69 -63.55 1.33 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 119.444 -0.902 . . . . 1.0 110.706 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -39.84 -36.08 0.41 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.749 -0.78 . . . . 1.0 111.226 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.28 -54.02 8.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.019 -1.072 . . . . 1.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.94 19.17 10.67 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.015 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . . . -77.66 -52.6 1.65 Allowed Pre-proline 0 N--CA 1.482 1.174 0 C-N-CA 117.831 -1.548 . . . . 1.0 112.412 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 57' ' ' ALA . 4.1 Cg_exo -63.5 171.46 6.76 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.546 0.831 . . . . 1.0 111.447 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 45.8 1.05 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.481 -0.888 . . . . 1.0 110.494 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 116.303 -1.808 . . . . 1.0 110.892 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' ASP . 9.5 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.783 0.325 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.88 -95.43 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.801 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 1' ' ' THR . 4.6 t70 56.39 60.39 3.17 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 119.36 -0.936 . . . . 1.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.541 HD22 ' N ' ' A' ' 5' ' ' LYS . 1.1 t-20 -115.02 137.22 52.25 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.993 -0.683 . . . . 1.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' N ' HD22 ' A' ' 4' ' ' ASN . 3.2 tptm -168.03 53.48 0.06 Allowed 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 119.307 -0.957 . . . . 1.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 39' ' ' PRO . 1.7 m-85 -110.81 101.85 10.42 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -154.84 -38.46 0.09 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.445 -0.798 . . . . 1.0 109.886 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.57 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.978 -1.01 . . . . 1.0 110.981 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 163.64 -25.61 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 119.787 -0.765 . . . . 1.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 13.6 mp0 -46.57 -41.38 14.34 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.134 0.791 . . . . 1.0 113.134 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -61.86 -73.1 0.11 Allowed 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.973 -1.091 . . . . 1.0 111.122 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.615 ' ND2' ' N ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -56.48 -41.71 77.05 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.382 -0.927 . . . . 1.0 110.54 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.615 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -55.19 -59.36 4.89 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.092 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' GLU . 11.3 t80 -40.15 -70.69 0.1 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.771 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -46.15 -20.56 0.1 Allowed 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.439 -1.304 . . . . 1.0 111.763 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -83.81 -66.12 0.93 Allowed 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.498 -0.881 . . . . 1.0 111.791 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -39.82 -26.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.954 -0.698 . . . . 1.0 111.302 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 18' ' ' LEU . 4.4 mm? -80.27 33.07 0.28 Allowed 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 119.704 -0.799 . . . . 1.0 111.859 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' PRO . 35.9 m-70 -145.9 -21.59 0.46 Allowed 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.618 -1.233 . . . . 1.0 112.587 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD22 ' CG ' ' A' ' 53' ' ' ASN . 41.4 mt -37.66 94.12 0.07 OUTLIER Pre-proline 0 N--CA 1.502 2.137 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' HIS . 9.9 Cg_endo -68.35 -1.1 6.7 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.719 1.612 . . . . 1.0 115.244 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.811 ' C ' HD13 ' A' ' 23' ' ' LEU . 47.6 m-20 -95.38 -20.31 19.21 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 117.914 -1.514 . . . . 1.0 114.527 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.811 HD13 ' C ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -116.96 169.16 9.61 Favored 'General case' 0 N--CA 1.517 2.903 0 C-N-CA 117.862 -1.535 . . . . 1.0 112.012 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -82.88 158.61 22.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.933 -1.031 . . . . 1.0 109.311 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.6 mt-10 -82.56 -16.47 48.44 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 118.139 -1.425 . . . . 1.0 112.832 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.81 -60.2 3.56 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 117.118 -1.833 . . . . 1.0 108.099 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.33 -51.64 55.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.348 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 118.022 -1.471 . . . . 1.0 110.207 -179.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.7 t30 -47.82 -23.72 0.81 Allowed 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 118.112 -1.435 . . . . 1.0 108.053 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 28' ' ' ARG . . . -59.04 -63.1 5.5 Favored Glycine 0 N--CA 1.48 1.628 0 C-N-CA 119.838 -1.173 . . . . 1.0 110.939 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HD1' HG23 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -50.34 -57.9 6.88 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 116.331 -2.148 . . . . 1.0 111.034 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG23 ' HD1' ' A' ' 31' ' ' PHE . 14.2 pt -62.79 -24.86 36.83 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 118.174 -1.41 . . . . 1.0 111.595 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ASN . 9.3 tt0 -51.87 -28.67 16.8 Favored 'General case' 0 CA--C 1.498 -1.038 0 C-N-CA 116.176 -2.21 . . . . 1.0 106.387 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.443 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -81.61 -31.12 32.63 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 113.962 -1.472 . . . . 1.0 109.364 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 42' ' ' SER . 5.9 tt -55.89 -54.8 40.26 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 119.164 -1.015 . . . . 1.0 109.626 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.41 -51.66 34.39 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 119.591 -0.844 . . . . 1.0 111.666 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.02 -40.4 89.2 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.852 -1.139 . . . . 1.0 110.761 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.17 83.45 15.73 Favored Pre-proline 0 C--N 1.299 -1.628 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' O ' ' CZ ' ' A' ' 6' ' ' PHE . 1.6 Cg_endo -69.68 42.07 0.33 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 121.612 1.542 . . . . 1.0 112.178 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 41' ' ' GLN . 92.3 p -91.0 -58.91 2.31 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.301 -0.96 . . . . 1.0 110.718 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.523 ' N ' ' OG ' ' A' ' 40' ' ' SER . 3.8 mt-30 -108.51 27.31 9.51 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.052 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 35' ' ' LEU . 93.1 p -47.03 -37.84 9.96 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.897 -0.721 . . . . 1.0 111.646 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . . . -60.48 -52.12 66.57 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.528 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -52.83 -47.49 67.66 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.72 -0.792 . . . . 1.0 111.991 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -56.12 -42.75 77.36 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 117.815 -1.554 . . . . 1.0 108.767 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.67 -43.31 26.26 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.186 -1.006 . . . . 1.0 109.609 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.488 ' N ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.9 -43.12 95.02 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.535 -1.266 . . . . 1.0 109.626 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -30.74 70.76 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.302 -0.863 . . . . 1.0 111.579 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -71.0 -65.78 0.7 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 118.696 -1.202 . . . . 1.0 111.391 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 50' ' ' LYS . 7.7 mmtt -41.41 -29.5 0.15 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.276 -0.97 . . . . 1.0 109.066 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ALA . 12.0 ttmt -72.96 -47.57 44.22 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 118.971 -1.091 . . . . 1.0 109.122 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -63.55 -23.0 67.2 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 119.379 -0.928 . . . . 1.0 109.223 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.609 ' N ' HD23 ' A' ' 52' ' ' LEU . 61.9 t30 -83.69 -63.55 1.33 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 119.444 -0.902 . . . . 1.0 110.706 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -39.84 -36.08 0.41 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.749 -0.78 . . . . 1.0 111.226 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.28 -54.02 8.54 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.019 -1.072 . . . . 1.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.94 19.17 10.67 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.548 -0.861 . . . . 1.0 112.015 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . . . -77.66 -52.6 1.65 Allowed Pre-proline 0 N--CA 1.482 1.174 0 C-N-CA 117.831 -1.548 . . . . 1.0 112.412 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 57' ' ' ALA . 4.1 Cg_exo -63.5 171.46 6.76 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.546 0.831 . . . . 1.0 111.447 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 45.8 1.05 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.481 -0.888 . . . . 1.0 110.494 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 116.303 -1.808 . . . . 1.0 110.892 -179.97 . . . . . . . . 0 0 . 1 stop_ save_