data_1gw4_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 1gw4 _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' ' ' SER . . . . . 0.53 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 24.2 m . . . . . 0 C--O 1.241 0.64 0 CA-C-O 121.201 0.525 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 1' ' ' SER . 30.9 Cg_endo -59.77 -42.13 48.78 Favored 'Trans proline' 0 N--CA 1.533 3.815 1 C-N-CA 125.344 4.029 . . . . 0.0 112.776 172.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -174.52 95.59 0.09 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.12 167.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 94.6 0.23 Allowed Glycine 0 C--N 1.319 -0.402 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.79 35.6 3.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.949 -0.736 . . . . 0.0 111.23 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.78 -41.36 8.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.807 0.813 . . . . 0.0 110.985 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -70.64 -33.71 71.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -174.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.807 0.813 . . . . 0.0 110.976 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -37.03 82.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.746 0.784 . . . . 0.0 110.969 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 7' ' ' MET . 30.9 mmt180 -51.13 -44.86 61.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.128 0.966 . . . . 0.0 110.724 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.38 30.59 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.556 0.693 . . . . 0.0 111.319 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -82.59 -39.21 22.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.898 0.856 . . . . 0.0 111.022 -175.486 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.38 -26.28 38.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.462 0.648 . . . . 0.0 111.4 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -24.96 67.93 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.766 -0.584 . . . . 0.0 111.49 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.606 ' HA ' HD11 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.09 -29.42 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.948 0.88 . . . . 0.0 110.868 174.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.11 -54.06 43.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.194 0.997 . . . . 0.0 110.895 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.59 -35.72 4.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.703 0.763 . . . . 0.0 111.357 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' VAL . 26.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.444 0.64 . . . . 0.0 111.186 -171.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -65.51 -35.18 80.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.729 0.776 . . . . 0.0 110.963 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -58.75 -31.33 68.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.672 0.749 . . . . 0.0 110.984 -175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -71.61 -48.42 48.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.983 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.572 ' O ' HD11 ' A' ' 22' ' ' LEU . 3.8 pp -95.91 31.74 2.04 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.378 0.609 . . . . 0.0 111.47 -175.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.76 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . . . -52.96 -57.38 16.46 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-O 121.955 0.883 . . . . 0.0 110.931 171.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.76 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 21.2 Cg_endo -84.1 23.73 0.81 Allowed 'Trans proline' 0 N--CA 1.53 3.662 1 C-N-CA 126.468 4.779 . . . . 0.0 115.771 -176.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -112.48 -22.52 10.78 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.481 -0.762 . . . . 0.0 112.189 -175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -51.03 -59.39 4.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.718 0.77 . . . . 0.0 111.478 -172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 69.13 1.99 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.919 0.866 . . . . 0.0 110.954 -172.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -44.34 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.642 0.734 . . . . 0.0 110.969 173.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -111.2 113.39 25.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.824 0.821 . . . . 0.0 110.952 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.938 ' HA ' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -172.6 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.752 0.787 . . . . 0.0 110.962 175.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.064 0.935 . . . . 0.0 110.776 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -35.42 80.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.805 0.812 . . . . 0.0 111.047 171.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.938 HD11 ' HA ' ' A' ' 30' ' ' ARG . 3.1 mt -76.05 -16.44 59.94 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.824 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -85.46 17.79 3.03 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.381 -0.824 . . . . 0.0 113.029 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.57 -46.9 3.59 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.226 -0.921 . . . . 0.0 111.153 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -69.25 -40.45 77.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.998 HD21 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.52 -24.61 13.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.38 0.61 . . . . 0.0 111.463 171.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.998 ' N ' HD21 ' A' ' 37' ' ' LEU . 2.6 tt0 -67.79 -46.23 72.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.72 0.772 . . . . 0.0 110.925 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.69 -37.69 66.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.698 0.761 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.42 73.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.712 0.768 . . . . 0.0 111.066 -171.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 -87.8 0.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.759 0.79 . . . . 0.0 111.036 -171.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.07 -155.67 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 63.35 89.9 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.85 0.833 . . . . 0.0 110.908 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.82 63.82 0.03 OUTLIER Glycine 0 C--N 1.32 -0.346 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 36.64 8.23 Favored Glycine 0 C--N 1.319 -0.374 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.14 0 CA-C-O 122.014 0.912 . . . . 0.0 110.98 -174.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.53 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 24.2 m . . . . . 0 C--O 1.241 0.64 0 CA-C-O 121.201 0.525 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 1' ' ' SER . 30.9 Cg_endo -59.77 -42.13 48.78 Favored 'Trans proline' 0 N--CA 1.533 3.815 1 C-N-CA 125.344 4.029 . . . . 0.0 112.776 172.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -174.52 95.59 0.09 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.12 167.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 94.6 0.23 Allowed Glycine 0 C--N 1.319 -0.402 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.79 35.6 3.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.949 -0.736 . . . . 0.0 111.23 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.78 -41.36 8.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.807 0.813 . . . . 0.0 110.985 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -70.64 -33.71 71.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -174.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.807 0.813 . . . . 0.0 110.976 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -37.03 82.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.746 0.784 . . . . 0.0 110.969 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 7' ' ' MET . 30.9 mmt180 -51.13 -44.86 61.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.128 0.966 . . . . 0.0 110.724 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.38 30.59 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.556 0.693 . . . . 0.0 111.319 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -82.59 -39.21 22.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.898 0.856 . . . . 0.0 111.022 -175.486 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.38 -26.28 38.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.462 0.648 . . . . 0.0 111.4 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -24.96 67.93 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.766 -0.584 . . . . 0.0 111.49 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.09 -29.42 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.948 0.88 . . . . 0.0 110.868 174.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.11 -54.06 43.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.194 0.997 . . . . 0.0 110.895 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.59 -35.72 4.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.703 0.763 . . . . 0.0 111.357 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 15' ' ' VAL . 26.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.444 0.64 . . . . 0.0 111.186 -171.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -65.51 -35.18 80.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.729 0.776 . . . . 0.0 110.963 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -58.75 -31.33 68.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.672 0.749 . . . . 0.0 110.984 -175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -71.61 -48.42 48.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.983 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.8 pp -95.91 31.74 2.04 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.378 0.609 . . . . 0.0 111.47 -175.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -52.96 -57.38 16.46 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-O 121.955 0.883 . . . . 0.0 110.931 171.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 21.2 Cg_endo -84.1 23.73 0.81 Allowed 'Trans proline' 0 N--CA 1.53 3.662 1 C-N-CA 126.468 4.779 . . . . 0.0 115.771 -176.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -112.48 -22.52 10.78 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.481 -0.762 . . . . 0.0 112.189 -175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -51.03 -59.39 4.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.718 0.77 . . . . 0.0 111.478 -172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 69.13 1.99 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.919 0.866 . . . . 0.0 110.954 -172.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -44.34 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.642 0.734 . . . . 0.0 110.969 173.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -111.2 113.39 25.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.824 0.821 . . . . 0.0 110.952 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.905 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -172.6 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.752 0.787 . . . . 0.0 110.962 175.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.064 0.935 . . . . 0.0 110.776 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -35.42 80.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.805 0.812 . . . . 0.0 111.047 171.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' A' ' 30' ' ' ARG . 3.1 mt -76.05 -16.44 59.94 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.849 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -85.46 17.79 3.03 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.381 -0.824 . . . . 0.0 113.029 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.57 -46.9 3.59 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.226 -0.921 . . . . 0.0 111.153 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -69.25 -40.45 77.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.52 -24.61 13.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.38 0.61 . . . . 0.0 111.463 171.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 37' ' ' LEU . 2.6 tt0 -67.79 -46.23 72.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.72 0.772 . . . . 0.0 110.925 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.69 -37.69 66.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.698 0.761 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.42 73.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.712 0.768 . . . . 0.0 111.066 -171.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 -87.8 0.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.759 0.79 . . . . 0.0 111.036 -171.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.07 -155.67 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 63.35 89.9 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.85 0.833 . . . . 0.0 110.908 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.82 63.82 0.03 OUTLIER Glycine 0 C--N 1.32 -0.346 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 36.64 8.23 Favored Glycine 0 C--N 1.319 -0.374 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.14 0 CA-C-O 122.014 0.912 . . . . 0.0 110.98 -174.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.53 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 24.2 m . . . . . 0 C--O 1.241 0.64 0 CA-C-O 121.201 0.525 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 1' ' ' SER . 30.9 Cg_endo -59.77 -42.13 48.78 Favored 'Trans proline' 0 N--CA 1.533 3.815 1 C-N-CA 125.344 4.029 . . . . 0.0 112.776 172.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -174.52 95.59 0.09 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.12 167.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.56 94.6 0.23 Allowed Glycine 0 C--N 1.319 -0.402 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.79 35.6 3.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.949 -0.736 . . . . 0.0 111.23 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.78 -41.36 8.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.807 0.813 . . . . 0.0 110.985 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -70.64 -33.71 71.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -174.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.807 0.813 . . . . 0.0 110.976 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.34 -37.03 82.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.746 0.784 . . . . 0.0 110.969 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 7' ' ' MET . 30.9 mmt180 -51.13 -44.86 61.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.128 0.966 . . . . 0.0 110.724 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.38 30.59 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.556 0.693 . . . . 0.0 111.319 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -82.59 -39.21 22.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.898 0.856 . . . . 0.0 111.022 -175.486 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.38 -26.28 38.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.462 0.648 . . . . 0.0 111.4 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -24.96 67.93 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.766 -0.584 . . . . 0.0 111.49 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.09 -29.42 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.948 0.88 . . . . 0.0 110.868 174.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.11 -54.06 43.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.194 0.997 . . . . 0.0 110.895 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.59 -35.72 4.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.703 0.763 . . . . 0.0 111.357 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 15' ' ' VAL . 26.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.444 0.64 . . . . 0.0 111.186 -171.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -65.51 -35.18 80.11 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.729 0.776 . . . . 0.0 110.963 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -58.75 -31.33 68.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.672 0.749 . . . . 0.0 110.984 -175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -71.61 -48.42 48.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.788 0.804 . . . . 0.0 110.983 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 3.8 pp -95.91 31.74 2.04 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.378 0.609 . . . . 0.0 111.47 -175.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -52.96 -57.38 16.46 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-O 121.955 0.883 . . . . 0.0 110.931 171.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 21.2 Cg_endo -84.1 23.73 0.81 Allowed 'Trans proline' 0 N--CA 1.53 3.662 1 C-N-CA 126.468 4.779 . . . . 0.0 115.771 -176.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -112.48 -22.52 10.78 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.481 -0.762 . . . . 0.0 112.189 -175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 m -51.03 -59.39 4.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.718 0.77 . . . . 0.0 111.478 -172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 69.13 1.99 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.919 0.866 . . . . 0.0 110.954 -172.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.29 -44.34 0.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.642 0.734 . . . . 0.0 110.969 173.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -111.2 113.39 25.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.824 0.821 . . . . 0.0 110.952 172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.905 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -172.6 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.752 0.787 . . . . 0.0 110.962 175.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.064 0.935 . . . . 0.0 110.776 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -35.42 80.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.805 0.812 . . . . 0.0 111.047 171.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' A' ' 30' ' ' ARG . 3.1 mt -76.05 -16.44 59.94 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.849 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -85.46 17.79 3.03 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.381 -0.824 . . . . 0.0 113.029 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.57 -46.9 3.59 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.226 -0.921 . . . . 0.0 111.153 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -69.25 -40.45 77.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.52 -24.61 13.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.38 0.61 . . . . 0.0 111.463 171.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 37' ' ' LEU . 2.6 tt0 -67.79 -46.23 72.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.72 0.772 . . . . 0.0 110.925 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.69 -37.69 66.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.698 0.761 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.42 73.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.712 0.768 . . . . 0.0 111.066 -171.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.37 -87.8 0.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.759 0.79 . . . . 0.0 111.036 -171.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.07 -155.67 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.864 0.84 . . . . 0.0 111.18 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 t30 63.35 89.9 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.85 0.833 . . . . 0.0 110.908 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.82 63.82 0.03 OUTLIER Glycine 0 C--N 1.32 -0.346 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 36.64 8.23 Favored Glycine 0 C--N 1.319 -0.374 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.14 0 CA-C-O 122.014 0.912 . . . . 0.0 110.98 -174.625 . . . . . . . . 0 0 . 1 stop_ save_