data_1odp_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 1odp _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 core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.523 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.491 HH12 HD23 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.643 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.423 HH12 HD23 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.423 HD23 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' C ' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 2' ' ' SER . 43.1 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.898 0.856 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 1' ' ' TYR . 0.4 OUTLIER 70.54 123.92 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.068 0.937 . . . . 0.0 110.265 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -30.57 -49.23 0.12 Allowed 'General case' 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.575 ' CE1' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.205 0.526 . . . . 0.0 111.853 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.926 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.9 OUTLIER 75.25 34.67 0.62 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.664 -0.647 . . . . 0.0 111.932 176.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.84 -90.46 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 2' ' ' SER . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.575 ' HD3' ' CE1' ' A' ' 1' ' ' TYR . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 HH12 HD23 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.643 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.643 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.581 ' HE1' ' HG3' ' A' ' 6' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 121.915 0.864 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.544 ' HB3' HD22 ' A' ' 5' ' ' LEU . 12.0 t -153.59 113.22 3.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.956 0.884 . . . . 0.0 110.831 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -27.59 -61.09 0.1 Allowed 'General case' 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 2' ' ' SER . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.581 ' HG3' ' HE1' ' A' ' 1' ' ' TYR . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.015 0.912 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.508 ' OG ' HD11 ' A' ' 5' ' ' LEU . 86.9 p -166.64 50.86 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.676 0.75 . . . . 0.0 111.096 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.9 t70 90.54 -75.9 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD11 ' OG ' ' A' ' 2' ' ' SER . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 HH12 HD23 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 HD23 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.736 ' HE1' ' HB2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.563 0.696 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.69 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.4 OUTLIER 70.21 109.61 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.562 1.172 . . . . 0.0 111.814 174.143 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -31.82 -46.76 0.12 Allowed 'General case' 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 2' ' ' SER . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.736 ' HB2' ' HE1' ' A' ' 1' ' ' TYR . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' C ' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.511 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.537 HH12 HD21 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.622 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.451 HH12 HD21 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD21 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 2' ' ' SER . 43.1 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.898 0.856 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 1' ' ' TYR . 0.4 OUTLIER 70.54 123.92 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.068 0.937 . . . . 0.0 110.265 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -30.57 -49.23 0.12 Allowed 'General case' 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.557 ' CE1' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.205 0.526 . . . . 0.0 111.853 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.92 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER 75.25 34.67 0.62 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.664 -0.647 . . . . 0.0 111.932 176.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.84 -90.46 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.92 HD12 ' HB3' ' A' ' 2' ' ' SER . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 1' ' ' TYR . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.537 HH12 HD21 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.622 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 6' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 121.915 0.864 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.592 ' HB3' HD23 ' A' ' 5' ' ' LEU . 12.0 t -153.59 113.22 3.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.956 0.884 . . . . 0.0 110.831 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -27.59 -61.09 0.1 Allowed 'General case' 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.584 ' HG3' ' HE1' ' A' ' 1' ' ' TYR . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.015 0.912 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 5' ' ' LEU . 86.9 p -166.64 50.86 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.676 0.75 . . . . 0.0 111.096 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.9 t70 90.54 -75.9 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 2' ' ' SER . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 HH12 HD21 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD21 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.73 ' HE1' ' HB2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.563 0.696 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.694 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER 70.21 109.61 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.562 1.172 . . . . 0.0 111.814 174.143 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -31.82 -46.76 0.12 Allowed 'General case' 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 2' ' ' SER . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.73 ' HB2' ' HE1' ' A' ' 1' ' ' TYR . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.511 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.537 HH12 HD21 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.622 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.451 HH12 HD21 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD21 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 2' ' ' SER . 43.1 p90 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.898 0.856 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 1' ' ' TYR . 0.4 OUTLIER 70.54 123.92 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.068 0.937 . . . . 0.0 110.265 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -30.57 -49.23 0.12 Allowed 'General case' 0 C--O 1.258 1.546 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.98 -42.5 80.72 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 119.652 -1.905 . . . . 0.0 112.804 -169.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.03 -32.39 73.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.941 0.877 . . . . 0.0 111.024 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.96 -44.16 77.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.104 0.955 . . . . 0.0 111.137 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -62.56 -28.27 69.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.949 0.88 . . . . 0.0 111.226 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 4.7 tmm_? -66.28 -42.05 88.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.331 1.063 . . . . 0.0 110.932 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.01 -29.51 70.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.953 0.882 . . . . 0.0 110.99 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.56 68.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.824 0.821 . . . . 0.0 111.216 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.13 -29.18 66.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.862 0.839 . . . . 0.0 111.296 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -71.67 -51.43 23.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.523 1.154 . . . . 0.0 110.536 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -48.7 -34.94 12.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.925 0.869 . . . . 0.0 111.368 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -41.96 89.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.4 1.095 . . . . 0.0 110.858 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.0 79.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.2 1.0 . . . . 0.0 110.836 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.682 0.753 . . . . 0.0 111.798 -174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.91 59.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.5 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.631 -0.668 . . . . 0.0 112.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -75.15 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.964 0.888 . . . . 0.0 110.945 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.351 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -175.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.557 ' CE1' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.205 0.526 . . . . 0.0 111.853 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.92 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER 75.25 34.67 0.62 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.664 -0.647 . . . . 0.0 111.932 176.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.84 -90.46 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -58.2 -30.16 66.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.763 0.792 . . . . 0.0 111.847 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.92 HD12 ' HB3' ' A' ' 2' ' ' SER . 15.2 mt -59.91 -34.5 73.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.295 1.045 . . . . 0.0 110.636 -173.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 1' ' ' TYR . 13.6 ttp180 -66.57 -45.24 79.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.333 1.063 . . . . 0.0 111.133 174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -27.01 68.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.972 0.891 . . . . 0.0 111.139 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -43.27 79.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.316 1.055 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.2 -29.27 70.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.933 0.873 . . . . 0.0 111.015 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.04 72.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.05 0.928 . . . . 0.0 111.044 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.09 -31.36 70.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.955 0.883 . . . . 0.0 111.226 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.537 HH12 HD21 ' A' ' 16' ' ' LEU . 29.5 tpt85 -71.34 -50.89 27.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.447 1.117 . . . . 0.0 110.682 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.63 -35.69 63.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.883 0.849 . . . . 0.0 111.289 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 1.5 tp10 -67.5 -42.77 82.34 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.127 0.965 . . . . 0.0 111.007 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.61 76.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.184 0.992 . . . . 0.0 110.692 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HH12 ' A' ' 12' ' ' ARG . 5.3 mt -73.04 -42.52 63.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.921 0.867 . . . . 0.0 111.189 -175.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.622 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -86.02 10.63 13.64 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -174.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -90.54 55.73 3.1 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.286 -0.884 . . . . 0.0 111.866 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -167.27 -62.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.991 0.9 . . . . 0.0 111.168 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.381 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.786 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 6' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 121.915 0.864 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.592 ' HB3' HD23 ' A' ' 5' ' ' LEU . 12.0 t -153.59 113.22 3.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.956 0.884 . . . . 0.0 110.831 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -27.59 -61.09 0.1 Allowed 'General case' 0 C--O 1.247 0.962 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -66.87 -39.59 87.57 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 120.398 -1.439 . . . . 0.0 112.589 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.1 OUTLIER -67.99 -37.35 81.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.052 0.93 . . . . 0.0 111.504 -173.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.584 ' HG3' ' HE1' ' A' ' 1' ' ' TYR . 2.4 tmt_? -76.1 -36.58 58.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.346 1.069 . . . . 0.0 110.859 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -65.8 -29.83 70.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.858 0.837 . . . . 0.0 111.304 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -65.38 -42.07 93.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.402 1.096 . . . . 0.0 110.693 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.75 -29.13 70.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.753 0.787 . . . . 0.0 111.317 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.83 68.73 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.96 0.886 . . . . 0.0 111.212 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.31 73.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.858 0.837 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -71.17 -49.63 41.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.478 1.132 . . . . 0.0 110.702 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.25 -32.3 55.68 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.822 0.82 . . . . 0.0 111.346 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -69.63 -44.1 71.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.457 1.122 . . . . 0.0 110.749 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.33 80.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.989 . . . . 0.0 110.816 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt -79.22 -35.96 40.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.928 0.87 . . . . 0.0 111.198 -174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -79.37 4.51 15.13 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -46.59 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.5 -0.75 . . . . 0.0 111.573 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.25 -62.44 1.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.995 0.902 . . . . 0.0 110.925 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.374 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 175.678 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.015 0.912 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 5' ' ' LEU . 86.9 p -166.64 50.86 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.676 0.75 . . . . 0.0 111.096 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.9 t70 90.54 -75.9 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.451 1.119 . . . . 0.0 110.942 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.14 -29.38 69.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 111.676 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 2' ' ' SER . 1.2 mt -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.745 0.783 . . . . 0.0 111.469 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -42.29 69.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.077 0.941 . . . . 0.0 111.172 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -27.2 68.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 0.0 111.337 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -41.1 96.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.489 1.137 . . . . 0.0 110.54 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -26.66 68.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.355 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.18 68.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.858 0.837 . . . . 0.0 111.17 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -30.9 67.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.892 0.853 . . . . 0.0 111.163 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 HH12 HD21 ' A' ' 16' ' ' LEU . 24.4 tpt85 -70.17 -46.94 63.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.705 1.24 . . . . 0.0 110.563 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.5 -32.6 51.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.843 0.83 . . . . 0.0 111.388 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -70.81 -39.58 72.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.389 1.09 . . . . 0.0 110.825 -174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.156 0.979 . . . . 0.0 110.828 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD21 HH12 ' A' ' 12' ' ' ARG . 77.6 mt -78.03 -33.07 51.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.755 0.788 . . . . 0.0 111.853 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -69.21 -15.96 63.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.4 0.619 . . . . 0.0 112.27 -174.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' HE2' ' A' ' 17' ' ' LYS . 42.9 tt0 -88.83 63.62 6.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.815 0.817 . . . . 0.0 111.849 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -151.25 -74.4 0.15 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.086 0.946 . . . . 0.0 110.906 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.412 0 CA-C-O 121.992 0.773 . . . . 0.0 111.235 177.568 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.73 ' HE1' ' HB2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.563 0.696 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.694 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER 70.21 109.61 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.562 1.172 . . . . 0.0 111.814 174.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -31.82 -46.76 0.12 Allowed 'General case' 0 C--O 1.258 1.547 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.84 -31.35 71.12 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 119.432 -2.042 . . . . 0.0 113.123 -170.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 2' ' ' SER . 4.4 mt -73.11 -32.48 64.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.706 0.765 . . . . 0.0 111.458 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.73 ' HB2' ' HE1' ' A' ' 1' ' ' TYR . 1.2 tpt180 -76.25 -41.13 50.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.135 0.969 . . . . 0.0 111.127 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.23 -24.63 61.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.653 0.74 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -44.6 72.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.218 1.008 . . . . 0.0 111.054 175.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -64.13 -36.13 83.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.208 1.004 . . . . 0.0 110.868 -179.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -26.99 65.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.695 0.76 . . . . 0.0 111.527 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.44 71.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.971 0.891 . . . . 0.0 111.006 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -72.35 -50.27 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.535 1.159 . . . . 0.0 110.551 177.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.02 -30.19 14.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.676 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -71.56 -43.03 67.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.4 1.095 . . . . 0.0 110.791 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.199 1.0 . . . . 0.0 110.781 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.2 -34.15 32.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.849 0.833 . . . . 0.0 111.562 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 11.71 9.31 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -174.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -46.64 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.45 -0.781 . . . . 0.0 111.534 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 -53.9 35.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.97 0.891 . . . . 0.0 110.964 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.373 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -177.279 . . . . . . . . 0 0 . 1 stop_ save_