data_2btb_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 2btb _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.433 -1.32 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 122.484 1.135 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' GLU . 6.5 mt . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 123.199 1.475 . . . . 0.0 112.832 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' A' ' 4' ' ' LEU . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.526 HD11 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp . . . . . 0 CA--C 1.555 1.17 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.526 ' H ' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp . . . . . 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.263 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.454 ' CD2' HD12 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.914 0.864 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp . . . . . 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.186 0 CA-C-O 123.317 1.532 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp . . . . . 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.525 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' CD2' HD12 ' A' ' 4' ' ' LEU 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CD2' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.463 ' CE2' ' CD2' ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.619 ' H ' ' HB2' ' A' ' 8' ' ' TYR . 1.5 tp . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.505 0.669 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp . . . . . 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.25 141.85 51.76 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 109.166 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -51.15 3.39 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 130.108 3.363 . . . . 0.0 109.181 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.29 147.89 30.81 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 129.571 3.148 . . . . 0.0 106.868 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.73 17.32 4.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 ptm -163.77 176.16 9.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 102.738 -3.06 . . . . 0.0 102.738 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.0 129.27 6.6 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.36 66.93 0.31 Allowed 'General case' 0 C--N 1.365 1.263 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.68 93.15 1.23 Allowed 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 123.804 1.764 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 119.079 -2.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 CA-C-O 121.614 0.721 . . . . 0.0 112.693 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -100.58 169.96 8.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.629 2.372 . . . . 0.0 112.388 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 81.33 6.31 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.109 2.564 . . . . 0.0 113.992 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.08 125.91 38.99 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.293 1.837 . . . . 0.0 111.775 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -10.31 15.07 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -150.17 124.86 9.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 102.269 -3.234 . . . . 0.0 102.269 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -111.11 142.37 43.37 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.751 1.62 . . . . 0.0 110.487 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.88 60.39 5.85 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.214 1.806 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -133.55 166.67 22.03 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.726 2.01 . . . . 0.0 108.731 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 118.612 -2.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.85 143.98 34.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 124.877 1.271 . . . . 0.0 110.276 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.82 25.47 11.17 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.64 2.376 . . . . 0.0 108.135 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -127.09 155.28 43.54 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 130.824 3.649 . . . . 0.0 105.878 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -54.22 30.83 0.0 OUTLIER 'General case' 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 ptm -161.84 59.57 0.25 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.889 2.476 . . . . 0.0 107.927 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.84 163.43 19.48 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 119.454 -2.029 . . . . 0.0 113.365 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.11 -172.05 0.13 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.2 171.42 17.97 Favored 'General case' 0 CA--C 1.55 0.981 0 O-C-N 120.057 -1.652 . . . . 0.0 107.854 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.965 0 CA-C-O 122.751 1.262 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.5 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 14.8 mp0 -76.45 128.18 34.29 Favored 'General case' 0 N--CA 1.441 -0.881 1 C-N-CA 134.767 5.227 . . . . 0.0 114.484 -178.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.39 46.83 0.01 OUTLIER 'General case' 0 C--N 1.358 0.96 0 C-N-CA 131.257 3.823 . . . . 0.0 119.93 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 9' ' ' GLU . 6.5 mt -96.6 163.93 12.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.931 2.092 . . . . 0.0 112.832 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HA ' HD12 ' A' ' 4' ' ' LEU . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.85 36.81 2.39 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -170.75 -171.51 1.04 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 130.631 3.572 . . . . 0.0 101.78 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.38 -59.42 2.01 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.951 1.25 . . . . 0.0 112.239 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -100.22 0.27 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.01 1.724 . . . . 0.0 110.843 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.91 27.89 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 124.266 1.026 . . . . 0.0 113.628 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.663 0 O-C-N 118.907 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER -103.25 177.65 4.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 130.636 3.575 . . . . 0.0 111.757 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 20.17 19.38 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.522 2.329 . . . . 0.0 113.218 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.526 HD11 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp -75.17 143.17 43.35 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.554 1.942 . . . . 0.0 112.887 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.526 ' H ' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp -121.45 15.81 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -153.73 101.28 2.45 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.61 2.364 . . . . 0.0 104.946 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.82 -34.04 6.56 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.333 -1.479 . . . . 0.0 109.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.17 85.36 1.37 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.864 3.266 . . . . 0.0 113.08 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.61 83.61 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 C-N-CA 126.314 1.846 . . . . 0.0 114.811 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.753 -2.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -114.82 143.59 44.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.5 pm0 -87.26 57.3 4.38 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 130.618 3.567 . . . . 0.0 109.787 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.263 0.1 OUTLIER -141.45 171.41 14.1 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.644 2.777 . . . . 0.0 105.533 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp -115.05 12.38 16.67 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -156.19 178.55 10.17 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 129.927 3.291 . . . . 0.0 104.385 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -103.84 -159.7 0.73 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.25 2.22 . . . . 0.0 109.671 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.2 144.03 26.13 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.945 2.098 . . . . 0.0 111.345 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.34 82.38 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 126.608 1.963 . . . . 0.0 114.434 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 118.963 -2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.508 2.462 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -163.69 166.18 22.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.488 0.661 . . . . 0.0 109.557 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.26 -8.46 56.76 Favored 'General case' 0 C--N 1.357 0.919 1 C-N-CA 131.907 4.083 . . . . 0.0 110.201 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -90.86 147.15 23.36 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 131.049 3.74 . . . . 0.0 115.608 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.454 ' CD2' HD12 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.95 22.57 0.97 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -171.61 113.97 0.36 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 102.663 -3.088 . . . . 0.0 102.663 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -119.4 -37.46 3.16 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.455 1.121 . . . . 0.0 111.754 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -98.03 -102.43 0.2 Allowed 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.456 3.502 . . . . 0.0 112.89 -179.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.98 -18.58 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 126.876 2.07 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.661 0 O-C-N 118.718 -2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.746 0 CA-C-O 121.651 0.738 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -103.93 -173.29 2.27 Favored 'General case' 0 N--CA 1.44 -0.963 1 C-N-CA 133.784 4.833 . . . . 0.0 111.647 -179.622 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -81.56 0.39 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 128.247 2.619 . . . . 0.0 108.979 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.67 147.49 24.79 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 128.107 2.563 . . . . 0.0 111.23 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp -74.07 -12.49 60.63 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 ptm -118.5 59.61 0.81 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.912 2.485 . . . . 0.0 107.835 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.29 155.91 23.37 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.617 1.967 . . . . 0.0 111.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.64 108.53 5.71 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 117.174 2.287 . . . . 0.0 117.174 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -81.05 57.98 3.31 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.435 -1.416 . . . . 0.0 112.868 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.644 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -73.19 -177.06 2.36 Favored 'General case' 0 C--N 1.349 0.551 1 C-N-CA 132.295 4.238 . . . . 0.0 115.843 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.17 77.78 5.93 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.891 2.077 . . . . 0.0 112.068 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.83 114.08 12.24 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.778 -1.826 . . . . 0.0 109.692 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.82 6.38 47.9 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.27 158.8 14.37 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 128.804 2.842 . . . . 0.0 103.453 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.95 176.93 7.94 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.692 2.397 . . . . 0.0 104.548 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 170.34 9.33 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 123.337 1.541 . . . . 0.0 112.104 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 66.8 0.08 Allowed 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.688 2.395 . . . . 0.0 114.878 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 118.494 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -170.41 1.98 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.389 2.275 . . . . 0.0 109.095 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -63.93 1.29 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.943 2.097 . . . . 0.0 110.602 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.75 112.45 24.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 127.716 2.407 . . . . 0.0 112.378 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp -102.96 -11.9 17.87 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ptm -126.07 54.45 1.54 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.808 2.043 . . . . 0.0 108.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -98.89 -138.66 0.31 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.038 2.135 . . . . 0.0 111.22 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.04 179.5 5.19 Favored 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.722 -1.861 . . . . 0.0 113.888 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -111.05 141.63 44.28 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 125.673 1.589 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 20.2 ttp . . . . . 0 N--CA 1.525 3.301 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.409 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 45.7 mp0 -126.62 136.07 52.03 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.315 1.531 . . . . 0.0 114.849 -178.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -38.94 9.36 Favored 'General case' 0 N--CA 1.441 -0.891 1 C-N-CA 131.813 4.045 . . . . 0.0 105.388 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.69 88.71 0.01 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 131.684 3.994 . . . . 0.0 113.695 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt -107.55 3.64 25.17 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.97 131.11 3.79 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.39 -166.04 1.39 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.496 2.719 . . . . 0.0 113.301 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.44 22.26 15.3 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.762 2.025 . . . . 0.0 112.084 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -61.92 64.43 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 125.038 2.351 . . . . 0.0 116.25 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 117.392 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mmm . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.93 178.46 4.51 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.671 2.388 . . . . 0.0 110.152 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.89 46.02 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 128.854 2.861 . . . . 0.0 109.409 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -102.65 126.54 49.78 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.627 1.971 . . . . 0.0 113.988 -179.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.525 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' CD2' HD12 ' A' ' 4' ' ' LEU 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt -101.0 41.99 1.15 Allowed 'General case' 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptm -168.38 -166.86 0.73 Allowed 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 129.448 3.099 . . . . 0.0 103.76 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -161.52 166.95 26.32 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.024 -3.324 . . . . 0.0 102.024 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.44 87.18 0.0 OUTLIER 'General case' 0 C--N 1.37 1.467 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.27 69.69 0.15 Allowed 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 126.136 1.774 . . . . 0.0 114.95 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 118.403 -2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.553 0 CA-C-O 121.618 0.723 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -94.19 178.34 5.67 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 130.301 3.44 . . . . 0.0 114.561 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -104.39 20.02 19.21 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.458 3.103 . . . . 0.0 109.884 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.57 124.27 25.58 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.286 3.434 . . . . 0.0 113.594 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm -118.19 -15.23 9.83 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -122.57 58.61 1.06 Allowed 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.127 2.171 . . . . 0.0 108.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -89.4 128.18 35.9 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.311 2.245 . . . . 0.0 110.119 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -68.52 135.99 52.44 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 127.134 2.174 . . . . 0.0 116.321 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.65 59.81 0.15 Allowed 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 119.528 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 mtt . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -151.52 155.21 38.03 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -108.59 -178.57 3.63 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.705 2.002 . . . . 0.0 110.299 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.53 84.51 7.63 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -19.56 13.44 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -116.66 95.97 5.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.072 2.149 . . . . 0.0 106.491 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.96 21.95 16.21 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 123.837 1.78 . . . . 0.0 110.714 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.25 72.79 8.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 128.808 2.843 . . . . 0.0 111.515 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -68.02 83.93 0.22 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 125.578 2.608 . . . . 0.0 113.048 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.6 0 O-C-N 118.736 -2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.99 51.18 0.17 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-O 123.238 1.494 . . . . 0.0 111.603 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.06 53.09 0.76 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.41 2.684 . . . . 0.0 115.823 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' CD2' ' CE2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.66 1.65 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.463 ' CE2' ' CD2' ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm -138.29 -49.34 0.55 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -82.52 49.05 1.38 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.193 2.597 . . . . 0.0 112.639 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.36 -13.36 60.14 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.975 2.11 . . . . 0.0 113.207 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 57.28 2.22 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.995 3.318 . . . . 0.0 112.605 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.72 63.12 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 128.616 2.766 . . . . 0.0 116.354 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.5 0 O-C-N 118.511 -2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 7.0 ptm . . . . . 0 N--CA 1.515 2.78 0 CA-C-O 122.485 1.136 . . . . 0.0 111.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 9.9 mp0 -96.73 150.58 20.53 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.368 3.067 . . . . 0.0 112.63 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -78.14 80.13 4.57 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 129.506 3.123 . . . . 0.0 112.799 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.73 24.72 3.68 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.231 2.213 . . . . 0.0 112.984 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp -144.72 14.74 1.56 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 mtm -138.31 56.31 1.73 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 128.116 2.566 . . . . 0.0 104.669 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -83.42 -12.17 56.72 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 128.5 2.72 . . . . 0.0 114.751 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.27 5.22 51.46 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.021 1.728 . . . . 0.0 112.664 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -65.38 72.26 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 127.653 2.381 . . . . 0.0 113.389 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 O-C-N 118.625 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' H2 ' ' CD ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.77 -173.53 3.46 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.469 2.708 . . . . 0.0 104.306 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.96 -163.22 0.03 OUTLIER 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.191 2.996 . . . . 0.0 113.931 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.619 ' H ' ' HB2' ' A' ' 8' ' ' TYR . 1.5 tp -78.43 -157.23 0.11 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 117.727 -3.108 . . . . 0.0 112.294 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.28 -57.92 1.37 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.79 53.46 0.92 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 120.288 -1.508 . . . . 0.0 108.055 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.45 84.77 3.49 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.236 2.214 . . . . 0.0 108.718 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 1.5 pt-20 -89.81 75.39 7.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.458 2.303 . . . . 0.0 112.441 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -65.36 -49.16 70.42 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.334 1.454 . . . . 0.0 113.363 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.764 0 O-C-N 118.488 -2.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.35 147.03 43.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.343 0.974 . . . . 0.0 109.52 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.8 pm0 -86.53 49.26 1.77 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 130.521 3.528 . . . . 0.0 114.465 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -115.06 89.06 3.01 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 127.92 2.488 . . . . 0.0 106.473 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -76.05 48.67 0.51 Allowed 'General case' 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.67 3.87 0.65 Allowed 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 131.049 3.74 . . . . 0.0 110.441 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.39 -24.97 67.68 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 128.661 2.784 . . . . 0.0 116.366 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.57 155.64 17.97 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 130.125 3.37 . . . . 0.0 110.202 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -70.79 69.34 0.44 Allowed 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.632 -1.918 . . . . 0.0 114.641 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.551 0 O-C-N 119.075 -2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -90.11 177.45 6.44 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.825 2.85 . . . . 0.0 114.27 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 94.27 9.81 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 126.495 1.918 . . . . 0.0 110.42 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.23 -27.19 0.17 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.717 2.007 . . . . 0.0 112.395 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm -85.1 -2.49 58.06 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.33 46.91 1.9 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.49 1.916 . . . . 0.0 106.391 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -72.82 123.48 23.46 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.55 2.74 . . . . 0.0 114.768 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -73.01 141.41 47.7 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.445 2.698 . . . . 0.0 116.248 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.23 43.42 0.1 Allowed 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.554 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -72.79 123.71 23.9 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 130.341 3.457 . . . . 0.0 117.184 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.01 77.51 2.19 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.58 2.352 . . . . 0.0 108.738 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.58 32.02 2.41 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.465 1.906 . . . . 0.0 113.235 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.03 -25.57 11.54 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.45 77.79 1.07 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.14 2.576 . . . . 0.0 105.658 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.03 92.38 4.99 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.064 2.145 . . . . 0.0 105.946 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.22 94.63 0.53 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.117 2.967 . . . . 0.0 116.733 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -60.48 72.1 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.178 0 C-N-CA 127.989 2.516 . . . . 0.0 116.831 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.167 -2.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.433 -1.32 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 122.484 1.135 . . . . 0.0 111.775 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.6 tp . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.55 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 8' ' ' TYR . 6.5 mt . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 123.199 1.475 . . . . 0.0 112.832 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HD13 ' A' ' 4' ' ' LEU 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp . . . . . 0 CA--C 1.555 1.17 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.633 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.569 ' HD1' HD22 ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp . . . . . 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 8' ' ' TYR 0.263 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 . . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.472 HD11 ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' C ' HD11 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 ' H ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.914 0.864 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.638 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp . . . . . 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.186 0 CA-C-O 123.317 1.532 . . . . 0.0 112.378 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp . . . . . 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 8' ' ' TYR . 1.3 mp . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.495 ' HE1' HD11 ' A' ' 4' ' ' LEU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.642 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' GLN . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.434 ' CE2' HD21 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CD2' HD22 ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tp . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.505 0.669 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.639 ' CE1' HD13 ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.455 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 4' ' ' LEU . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp . . . . . 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.25 141.85 51.76 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 109.166 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -51.15 3.39 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 130.108 3.363 . . . . 0.0 109.181 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -108.29 147.89 30.81 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 129.571 3.148 . . . . 0.0 106.868 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.73 17.32 4.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 ptm -163.77 176.16 9.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 102.738 -3.06 . . . . 0.0 102.738 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.0 129.27 6.6 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.36 66.93 0.31 Allowed 'General case' 0 C--N 1.365 1.263 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.68 93.15 1.23 Allowed 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 123.804 1.764 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 119.079 -2.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 CA-C-O 121.614 0.721 . . . . 0.0 112.693 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -100.58 169.96 8.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.629 2.372 . . . . 0.0 112.388 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 81.33 6.31 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.109 2.564 . . . . 0.0 113.992 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -94.08 125.91 38.99 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.293 1.837 . . . . 0.0 111.775 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -10.31 15.07 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -150.17 124.86 9.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 102.269 -3.234 . . . . 0.0 102.269 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -111.11 142.37 43.37 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.751 1.62 . . . . 0.0 110.487 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.88 60.39 5.85 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.214 1.806 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -133.55 166.67 22.03 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.726 2.01 . . . . 0.0 108.731 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 118.612 -2.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.85 143.98 34.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 124.877 1.271 . . . . 0.0 110.276 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.82 25.47 11.17 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.64 2.376 . . . . 0.0 108.135 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.6 tp -127.09 155.28 43.54 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 130.824 3.649 . . . . 0.0 105.878 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.55 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -54.22 30.83 0.0 OUTLIER 'General case' 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 ptm -161.84 59.57 0.25 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.889 2.476 . . . . 0.0 107.927 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.84 163.43 19.48 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 119.454 -2.029 . . . . 0.0 113.365 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.11 -172.05 0.13 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.68 HD21 ' N ' ' A' ' 16' ' ' NH2 . 0.1 OUTLIER -152.2 171.42 17.97 Favored 'General case' 0 CA--C 1.55 0.981 0 O-C-N 120.057 -1.652 . . . . 0.0 107.854 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . 0.68 ' N ' HD21 ' A' ' 15' ' ' ASN . . . . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.965 0 CA-C-O 122.751 1.262 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 14.8 mp0 -76.45 128.18 34.29 Favored 'General case' 0 N--CA 1.441 -0.881 1 C-N-CA 134.767 5.227 . . . . 0.0 114.484 -178.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.39 46.83 0.01 OUTLIER 'General case' 0 C--N 1.358 0.96 0 C-N-CA 131.257 3.823 . . . . 0.0 119.93 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 8' ' ' TYR . 6.5 mt -96.6 163.93 12.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.931 2.092 . . . . 0.0 112.832 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HD13 ' A' ' 4' ' ' LEU 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.85 36.81 2.39 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -170.75 -171.51 1.04 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 130.631 3.572 . . . . 0.0 101.78 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.38 -59.42 2.01 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.951 1.25 . . . . 0.0 112.239 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -100.22 0.27 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.01 1.724 . . . . 0.0 110.843 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.91 27.89 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 124.266 1.026 . . . . 0.0 113.628 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.663 0 O-C-N 118.907 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER -103.25 177.65 4.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 130.636 3.575 . . . . 0.0 111.757 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 20.17 19.38 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.522 2.329 . . . . 0.0 113.218 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp -75.17 143.17 43.35 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.554 1.942 . . . . 0.0 112.887 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.633 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.569 ' HD1' HD22 ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp -121.45 15.81 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -153.73 101.28 2.45 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.61 2.364 . . . . 0.0 104.946 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.82 -34.04 6.56 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.333 -1.479 . . . . 0.0 109.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.17 85.36 1.37 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.864 3.266 . . . . 0.0 113.08 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.61 83.61 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 C-N-CA 126.314 1.846 . . . . 0.0 114.811 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.753 -2.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -114.82 143.59 44.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.5 pm0 -87.26 57.3 4.38 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 130.618 3.567 . . . . 0.0 109.787 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 8' ' ' TYR 0.263 0.1 OUTLIER -141.45 171.41 14.1 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.644 2.777 . . . . 0.0 105.533 -179.137 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp -115.05 12.38 16.67 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -156.19 178.55 10.17 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 129.927 3.291 . . . . 0.0 104.385 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -103.84 -159.7 0.73 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.25 2.22 . . . . 0.0 109.671 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.2 144.03 26.13 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.945 2.098 . . . . 0.0 111.345 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.34 82.38 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 126.608 1.963 . . . . 0.0 114.434 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 118.963 -2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.508 2.462 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -163.69 166.18 22.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.488 0.661 . . . . 0.0 109.557 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.26 -8.46 56.76 Favored 'General case' 0 C--N 1.357 0.919 1 C-N-CA 131.907 4.083 . . . . 0.0 110.201 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 HD11 ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -90.86 147.15 23.36 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 131.049 3.74 . . . . 0.0 115.608 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' C ' HD11 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.95 22.57 0.97 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -171.61 113.97 0.36 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 102.663 -3.088 . . . . 0.0 102.663 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -119.4 -37.46 3.16 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.455 1.121 . . . . 0.0 111.754 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -98.03 -102.43 0.2 Allowed 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.456 3.502 . . . . 0.0 112.89 -179.176 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.98 -18.58 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 126.876 2.07 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.661 0 O-C-N 118.718 -2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.746 0 CA-C-O 121.651 0.738 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -103.93 -173.29 2.27 Favored 'General case' 0 N--CA 1.44 -0.963 1 C-N-CA 133.784 4.833 . . . . 0.0 111.647 -179.622 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -81.56 0.39 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 128.247 2.619 . . . . 0.0 108.979 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 ' H ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -98.67 147.49 24.79 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 128.107 2.563 . . . . 0.0 111.23 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.638 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp -74.07 -12.49 60.63 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 ptm -118.5 59.61 0.81 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.912 2.485 . . . . 0.0 107.835 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.29 155.91 23.37 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.617 1.967 . . . . 0.0 111.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.64 108.53 5.71 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 117.174 2.287 . . . . 0.0 117.174 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -81.05 57.98 3.31 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.435 -1.416 . . . . 0.0 112.868 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.644 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -73.19 -177.06 2.36 Favored 'General case' 0 C--N 1.349 0.551 1 C-N-CA 132.295 4.238 . . . . 0.0 115.843 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.17 77.78 5.93 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.891 2.077 . . . . 0.0 112.068 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -134.83 114.08 12.24 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.778 -1.826 . . . . 0.0 109.692 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.82 6.38 47.9 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.27 158.8 14.37 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 128.804 2.842 . . . . 0.0 103.453 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.95 176.93 7.94 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.692 2.397 . . . . 0.0 104.548 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 170.34 9.33 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 123.337 1.541 . . . . 0.0 112.104 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 66.8 0.08 Allowed 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.688 2.395 . . . . 0.0 114.878 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 118.494 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -170.41 1.98 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.389 2.275 . . . . 0.0 109.095 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -63.93 1.29 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.943 2.097 . . . . 0.0 110.602 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -96.75 112.45 24.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 127.716 2.407 . . . . 0.0 112.378 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp -102.96 -11.9 17.87 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ptm -126.07 54.45 1.54 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.808 2.043 . . . . 0.0 108.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -98.89 -138.66 0.31 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.038 2.135 . . . . 0.0 111.22 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.04 179.5 5.19 Favored 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.722 -1.861 . . . . 0.0 113.888 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -111.05 141.63 44.28 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 125.673 1.589 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttp . . . . . 0 N--CA 1.525 3.301 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -126.62 136.07 52.03 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.315 1.531 . . . . 0.0 114.849 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -38.94 9.36 Favored 'General case' 0 N--CA 1.441 -0.891 1 C-N-CA 131.813 4.045 . . . . 0.0 105.388 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 8' ' ' TYR . 1.3 mp -58.69 88.71 0.01 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 131.684 3.994 . . . . 0.0 113.695 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' HE1' HD11 ' A' ' 4' ' ' LEU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt -107.55 3.64 25.17 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.97 131.11 3.79 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.39 -166.04 1.39 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.496 2.719 . . . . 0.0 113.301 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.44 22.26 15.3 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.762 2.025 . . . . 0.0 112.084 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -61.92 64.43 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 125.038 2.351 . . . . 0.0 116.25 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 117.392 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mmm . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.93 178.46 4.51 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.671 2.388 . . . . 0.0 110.152 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.89 46.02 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 128.854 2.861 . . . . 0.0 109.409 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 126.54 49.78 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.627 1.971 . . . . 0.0 113.988 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt -101.0 41.99 1.15 Allowed 'General case' 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptm -168.38 -166.86 0.73 Allowed 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 129.448 3.099 . . . . 0.0 103.76 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -161.52 166.95 26.32 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.024 -3.324 . . . . 0.0 102.024 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.44 87.18 0.0 OUTLIER 'General case' 0 C--N 1.37 1.467 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.27 69.69 0.15 Allowed 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 126.136 1.774 . . . . 0.0 114.95 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 118.403 -2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.553 0 CA-C-O 121.618 0.723 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -94.19 178.34 5.67 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 130.301 3.44 . . . . 0.0 114.561 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 20.02 19.21 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.458 3.103 . . . . 0.0 109.884 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 124.27 25.58 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.286 3.434 . . . . 0.0 113.594 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm -118.19 -15.23 9.83 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -122.57 58.61 1.06 Allowed 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.127 2.171 . . . . 0.0 108.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -89.4 128.18 35.9 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.311 2.245 . . . . 0.0 110.119 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -68.52 135.99 52.44 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 127.134 2.174 . . . . 0.0 116.321 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.65 59.81 0.15 Allowed 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 119.528 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 mtt . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -151.52 155.21 38.03 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -108.59 -178.57 3.63 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.705 2.002 . . . . 0.0 110.299 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.53 84.51 7.63 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.583 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' GLN . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.434 ' CE2' HD21 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -19.56 13.44 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -116.66 95.97 5.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.072 2.149 . . . . 0.0 106.491 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.96 21.95 16.21 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 123.837 1.78 . . . . 0.0 110.714 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.25 72.79 8.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 128.808 2.843 . . . . 0.0 111.515 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -68.02 83.93 0.22 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 125.578 2.608 . . . . 0.0 113.048 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.6 0 O-C-N 118.736 -2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.99 51.18 0.17 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-O 123.238 1.494 . . . . 0.0 111.603 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.06 53.09 0.76 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.41 2.684 . . . . 0.0 115.823 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.66 1.65 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CD2' HD22 ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm -138.29 -49.34 0.55 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -82.52 49.05 1.38 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.193 2.597 . . . . 0.0 112.639 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.36 -13.36 60.14 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.975 2.11 . . . . 0.0 113.207 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 57.28 2.22 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.995 3.318 . . . . 0.0 112.605 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.72 63.12 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 128.616 2.766 . . . . 0.0 116.354 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.5 0 O-C-N 118.511 -2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptm . . . . . 0 N--CA 1.515 2.78 0 CA-C-O 122.485 1.136 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -96.73 150.58 20.53 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.368 3.067 . . . . 0.0 112.63 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -78.14 80.13 4.57 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 129.506 3.123 . . . . 0.0 112.799 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.73 24.72 3.68 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.231 2.213 . . . . 0.0 112.984 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp -144.72 14.74 1.56 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 mtm -138.31 56.31 1.73 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 128.116 2.566 . . . . 0.0 104.669 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -83.42 -12.17 56.72 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 128.5 2.72 . . . . 0.0 114.751 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.27 5.22 51.46 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.021 1.728 . . . . 0.0 112.664 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -65.38 72.26 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 127.653 2.381 . . . . 0.0 113.389 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 O-C-N 118.625 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.77 -173.53 3.46 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.469 2.708 . . . . 0.0 104.306 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.96 -163.22 0.03 OUTLIER 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.191 2.996 . . . . 0.0 113.931 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tp -78.43 -157.23 0.11 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 117.727 -3.108 . . . . 0.0 112.294 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.639 ' CE1' HD13 ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.28 -57.92 1.37 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.79 53.46 0.92 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 120.288 -1.508 . . . . 0.0 108.055 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.45 84.77 3.49 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.236 2.214 . . . . 0.0 108.718 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.81 75.39 7.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.458 2.303 . . . . 0.0 112.441 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -65.36 -49.16 70.42 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.334 1.454 . . . . 0.0 113.363 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.764 0 O-C-N 118.488 -2.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.35 147.03 43.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.343 0.974 . . . . 0.0 109.52 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.8 pm0 -86.53 49.26 1.77 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 130.521 3.528 . . . . 0.0 114.465 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 89.06 3.01 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 127.92 2.488 . . . . 0.0 106.473 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -76.05 48.67 0.51 Allowed 'General case' 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.67 3.87 0.65 Allowed 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 131.049 3.74 . . . . 0.0 110.441 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.39 -24.97 67.68 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 128.661 2.784 . . . . 0.0 116.366 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -101.57 155.64 17.97 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 130.125 3.37 . . . . 0.0 110.202 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -70.79 69.34 0.44 Allowed 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.632 -1.918 . . . . 0.0 114.641 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.551 0 O-C-N 119.075 -2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -90.11 177.45 6.44 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.825 2.85 . . . . 0.0 114.27 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 94.27 9.81 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 126.495 1.918 . . . . 0.0 110.42 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.23 -27.19 0.17 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.717 2.007 . . . . 0.0 112.395 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm -85.1 -2.49 58.06 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.33 46.91 1.9 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.49 1.916 . . . . 0.0 106.391 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -72.82 123.48 23.46 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.55 2.74 . . . . 0.0 114.768 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -73.01 141.41 47.7 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.445 2.698 . . . . 0.0 116.248 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.23 43.42 0.1 Allowed 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.554 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -72.79 123.71 23.9 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 130.341 3.457 . . . . 0.0 117.184 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.01 77.51 2.19 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.58 2.352 . . . . 0.0 108.738 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -97.58 32.02 2.41 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.465 1.906 . . . . 0.0 113.235 -179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 4' ' ' LEU . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.03 -25.57 11.54 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.45 77.79 1.07 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.14 2.576 . . . . 0.0 105.658 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.03 92.38 4.99 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.064 2.145 . . . . 0.0 105.946 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.22 94.63 0.53 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.117 2.967 . . . . 0.0 116.733 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -60.48 72.1 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.178 0 C-N-CA 127.989 2.516 . . . . 0.0 116.831 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.167 -2.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.433 -1.32 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 122.484 1.135 . . . . 0.0 111.775 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.6 tp . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.55 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 8' ' ' TYR . 6.5 mt . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 123.199 1.475 . . . . 0.0 112.832 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HD13 ' A' ' 4' ' ' LEU 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp . . . . . 0 CA--C 1.555 1.17 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.633 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.569 ' HD1' HD22 ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp . . . . . 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 8' ' ' TYR 0.263 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.472 HD11 ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' C ' HD11 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 ' H ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.914 0.864 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.638 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp . . . . . 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.186 0 CA-C-O 123.317 1.532 . . . . 0.0 112.378 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp . . . . . 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 8' ' ' TYR . 1.3 mp . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.495 ' HE1' HD11 ' A' ' 4' ' ' LEU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.514 ' CD ' ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.642 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' GLN . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.434 ' CE2' HD21 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CD2' HD22 ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp . . . . . 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tp . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.505 0.669 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.639 ' CE1' HD13 ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.455 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.829 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 4' ' ' LEU . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp . . . . . 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.25 141.85 51.76 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 109.166 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -51.15 3.39 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 130.108 3.363 . . . . 0.0 109.181 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -108.29 147.89 30.81 Favored 'General case' 0 N--CA 1.433 -1.32 0 C-N-CA 129.571 3.148 . . . . 0.0 106.868 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -80.4 -82.53 0.11 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.304 2.642 . . . . 0.0 117.544 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -138.54 -75.87 0.38 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 119.634 -1.916 . . . . 0.0 112.815 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.98 83.8 4.02 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.955 1.702 . . . . 0.0 109.788 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.309 5.0 t80 -170.36 171.71 6.49 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.3 -2.482 . . . . 0.0 104.3 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.32 116.41 0.96 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.886 2.875 . . . . 0.0 103.245 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 52.2 0.01 OUTLIER 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.257 3.023 . . . . 0.0 118.657 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.73 17.32 4.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.945 2.898 . . . . 0.0 106.762 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 ptm -163.77 176.16 9.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 102.738 -3.06 . . . . 0.0 102.738 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.0 129.27 6.6 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.36 66.93 0.31 Allowed 'General case' 0 C--N 1.365 1.263 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.68 93.15 1.23 Allowed 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 123.804 1.764 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.56 0 O-C-N 119.079 -2.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 CA-C-O 121.614 0.721 . . . . 0.0 112.693 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -100.58 169.96 8.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.629 2.372 . . . . 0.0 112.388 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 81.33 6.31 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.109 2.564 . . . . 0.0 113.992 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -94.08 125.91 38.99 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.293 1.837 . . . . 0.0 111.775 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 -71.65 0.67 Allowed 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.853 2.461 . . . . 0.0 114.604 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -127.63 -139.16 0.25 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.048 1.739 . . . . 0.0 112.412 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.32 68.54 0.0 OUTLIER 'General case' 0 C--N 1.374 1.659 0 C-N-CA 131.473 3.909 . . . . 0.0 116.363 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.279 5.3 t80 -157.8 158.57 35.47 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 128.232 2.613 . . . . 0.0 106.429 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -136.28 -136.39 0.15 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -131.84 64.69 1.59 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-N 123.4 2.818 . . . . 0.0 107.951 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -10.31 15.07 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 126.821 2.049 . . . . 0.0 112.11 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -150.17 124.86 9.74 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 102.269 -3.234 . . . . 0.0 102.269 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -111.11 142.37 43.37 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.751 1.62 . . . . 0.0 110.487 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.88 60.39 5.85 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.214 1.806 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -133.55 166.67 22.03 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.726 2.01 . . . . 0.0 108.731 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 118.612 -2.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -106.85 143.98 34.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 124.877 1.271 . . . . 0.0 110.276 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.82 25.47 11.17 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.64 2.376 . . . . 0.0 108.135 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.6 tp -127.09 155.28 43.54 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 130.824 3.649 . . . . 0.0 105.878 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.55 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -106.16 -76.75 0.6 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.284 2.234 . . . . 0.0 113.171 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -118.94 -97.07 0.47 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.42 80.09 4.83 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.845 2.458 . . . . 0.0 115.623 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.318 3.5 t80 -173.77 -179.06 1.69 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.226 -2.509 . . . . 0.0 104.226 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 21.5 tt0 -144.19 -113.68 0.1 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.47 3.108 . . . . 0.0 107.735 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -138.35 -70.22 0.43 Allowed 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.06 1.344 . . . . 0.0 107.964 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -54.22 30.83 0.0 OUTLIER 'General case' 0 C--N 1.361 1.1 0 C-N-CA 131.62 3.968 . . . . 0.0 120.402 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 ptm -161.84 59.57 0.25 Allowed 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 127.889 2.476 . . . . 0.0 107.927 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.84 163.43 19.48 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 119.454 -2.029 . . . . 0.0 113.365 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.11 -172.05 0.13 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.2 171.42 17.97 Favored 'General case' 0 CA--C 1.55 0.981 0 O-C-N 120.057 -1.652 . . . . 0.0 107.854 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.965 0 CA-C-O 122.751 1.262 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 14.8 mp0 -76.45 128.18 34.29 Favored 'General case' 0 N--CA 1.441 -0.881 1 C-N-CA 134.767 5.227 . . . . 0.0 114.484 -178.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.39 46.83 0.01 OUTLIER 'General case' 0 C--N 1.358 0.96 0 C-N-CA 131.257 3.823 . . . . 0.0 119.93 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 8' ' ' TYR . 6.5 mt -96.6 163.93 12.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 126.931 2.092 . . . . 0.0 112.832 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -157.0 0.6 Allowed 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 128.289 2.636 . . . . 0.0 107.997 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.94 -55.26 5.45 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.524 2.73 . . . . 0.0 114.373 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.65 59.71 0.8 Allowed 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.56 1.544 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HD13 ' A' ' 4' ' ' LEU 0.381 6.1 t80 -168.34 127.78 1.21 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.673 1.989 . . . . 0.0 109.822 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -140.03 131.17 26.43 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 131.106 3.762 . . . . 0.0 104.255 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.7 58.6 0.2 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.223 2.609 . . . . 0.0 116.099 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.85 36.81 2.39 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 127.903 2.481 . . . . 0.0 105.161 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -170.75 -171.51 1.04 Allowed 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 130.631 3.572 . . . . 0.0 101.78 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.38 -59.42 2.01 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.951 1.25 . . . . 0.0 112.239 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -100.22 0.27 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.01 1.724 . . . . 0.0 110.843 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.91 27.89 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 124.266 1.026 . . . . 0.0 113.628 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.663 0 O-C-N 118.907 -2.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER -103.25 177.65 4.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 130.636 3.575 . . . . 0.0 111.757 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 20.17 19.38 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.522 2.329 . . . . 0.0 113.218 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 HD12 ' H ' ' A' ' 5' ' ' GLN . 9.7 tp -75.17 143.17 43.35 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 126.554 1.942 . . . . 0.0 112.887 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.633 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -99.8 -71.6 0.69 Allowed 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 129.61 3.164 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -121.18 -117.07 0.31 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 124.724 1.209 . . . . 0.0 113.609 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.17 99.04 2.72 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.878 3.271 . . . . 0.0 117.085 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.569 ' HD1' HD22 ' A' ' 4' ' ' LEU 0.379 0.0 OUTLIER -161.82 166.91 25.73 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 124.724 1.209 . . . . 0.0 110.532 -179.695 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -159.75 142.1 13.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.49 51.59 0.73 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 126.817 2.047 . . . . 0.0 115.491 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 ttp -121.45 15.81 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 126.882 2.073 . . . . 0.0 108.65 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -153.73 101.28 2.45 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.61 2.364 . . . . 0.0 104.946 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.82 -34.04 6.56 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.333 -1.479 . . . . 0.0 109.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.17 85.36 1.37 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.864 3.266 . . . . 0.0 113.08 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.61 83.61 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 C-N-CA 126.314 1.846 . . . . 0.0 114.811 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.515 0 O-C-N 118.753 -2.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttm . . . . . 0 N--CA 1.5 2.03 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -114.82 143.59 44.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.841 2.056 . . . . 0.0 112.885 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.5 pm0 -87.26 57.3 4.38 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 130.618 3.567 . . . . 0.0 109.787 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 8' ' ' TYR 0.263 0.1 OUTLIER -141.45 171.41 14.1 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.644 2.777 . . . . 0.0 105.533 -179.137 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.49 -80.54 0.4 Allowed 'General case' 0 C--N 1.363 1.157 0 O-C-N 119.63 -1.919 . . . . 0.0 114.294 -179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.22 -71.31 0.5 Allowed 'General case' 0 C--N 1.358 0.948 0 O-C-N 121.192 -0.943 . . . . 0.0 113.261 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -95.92 82.28 3.52 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.932 2.093 . . . . 0.0 114.481 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' A' ' 4' ' ' LEU 0.331 2.2 t80 -175.55 169.14 3.14 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -159.68 130.64 5.88 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 101.933 -3.358 . . . . 0.0 101.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -71.92 48.02 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 ttp -115.05 12.38 16.67 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.203 2.601 . . . . 0.0 107.317 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -156.19 178.55 10.17 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 129.927 3.291 . . . . 0.0 104.385 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -103.84 -159.7 0.73 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.25 2.22 . . . . 0.0 109.671 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.2 144.03 26.13 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.945 2.098 . . . . 0.0 111.345 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.34 82.38 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 126.608 1.963 . . . . 0.0 114.434 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.666 0 O-C-N 118.963 -2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.508 2.462 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -163.69 166.18 22.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.488 0.661 . . . . 0.0 109.557 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.26 -8.46 56.76 Favored 'General case' 0 C--N 1.357 0.919 1 C-N-CA 131.907 4.083 . . . . 0.0 110.201 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 HD11 ' C ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -90.86 147.15 23.36 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 131.049 3.74 . . . . 0.0 115.608 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.21 -78.38 0.58 Allowed 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 130.555 3.542 . . . . 0.0 107.736 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.52 -122.47 0.29 Allowed 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.684 1.594 . . . . 0.0 113.833 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.99 73.06 0.6 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.281 3.033 . . . . 0.0 117.354 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' C ' HD11 ' A' ' 4' ' ' LEU 0.366 7.7 t80 -154.32 172.62 17.39 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.306 1.442 . . . . 0.0 107.776 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -154.92 -100.14 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -176.42 82.46 0.02 OUTLIER 'General case' 0 C--N 1.344 0.364 0 CA-C-O 123.007 1.384 . . . . 0.0 111.753 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.95 22.57 0.97 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.039 1.736 . . . . 0.0 106.732 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -171.61 113.97 0.36 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 102.663 -3.088 . . . . 0.0 102.663 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -119.4 -37.46 3.16 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.455 1.121 . . . . 0.0 111.754 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -98.03 -102.43 0.2 Allowed 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.456 3.502 . . . . 0.0 112.89 -179.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.98 -18.58 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 C-N-CA 126.876 2.07 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.661 0 O-C-N 118.718 -2.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.746 0 CA-C-O 121.651 0.738 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -103.93 -173.29 2.27 Favored 'General case' 0 N--CA 1.44 -0.963 1 C-N-CA 133.784 4.833 . . . . 0.0 111.647 -179.622 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -81.56 0.39 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 128.247 2.619 . . . . 0.0 108.979 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 ' H ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -98.67 147.49 24.79 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 128.107 2.563 . . . . 0.0 111.23 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.638 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -102.21 -99.3 0.28 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.55 2.74 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.07 -108.42 0.32 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.745 2.018 . . . . 0.0 114.728 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 60.36 0.02 OUTLIER 'General case' 0 C--N 1.367 1.34 0 C-N-CA 130.52 3.528 . . . . 0.0 119.516 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.271 2.9 t80 -157.81 158.58 35.48 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.574 1.95 . . . . 0.0 105.86 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -152.44 137.53 17.33 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 101.807 -3.405 . . . . 0.0 101.807 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -5.04 0.25 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 121.379 3.844 . . . . 0.0 121.379 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 ttp -74.07 -12.49 60.63 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 127.302 2.241 . . . . 0.0 113.873 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 ptm -118.5 59.61 0.81 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.912 2.485 . . . . 0.0 107.835 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -83.29 155.91 23.37 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 126.617 1.967 . . . . 0.0 111.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.64 108.53 5.71 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 117.174 2.287 . . . . 0.0 117.174 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -81.05 57.98 3.31 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.435 -1.416 . . . . 0.0 112.868 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.644 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -73.19 -177.06 2.36 Favored 'General case' 0 C--N 1.349 0.551 1 C-N-CA 132.295 4.238 . . . . 0.0 115.843 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.17 77.78 5.93 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.891 2.077 . . . . 0.0 112.068 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -134.83 114.08 12.24 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.778 -1.826 . . . . 0.0 109.692 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -137.65 0.37 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.496 1.918 . . . . 0.0 109.55 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -31.14 65.49 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 129.148 2.979 . . . . 0.0 117.283 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -132.75 -92.35 0.37 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.543 2.337 . . . . 0.0 106.814 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 68.4 t80 -151.21 171.4 17.46 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -104.59 -140.57 0.36 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.824 3.249 . . . . 0.0 109.104 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.332 0.0 OUTLIER -149.44 48.99 0.96 Allowed 'General case' 0 C--N 1.359 1.011 0 O-C-N 119.473 -2.017 . . . . 0.0 112.035 179.448 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.82 6.38 47.9 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.858 1.663 . . . . 0.0 110.133 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.27 158.8 14.37 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 128.804 2.842 . . . . 0.0 103.453 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -131.95 176.93 7.94 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.692 2.397 . . . . 0.0 104.548 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 170.34 9.33 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 123.337 1.541 . . . . 0.0 112.104 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.47 66.8 0.08 Allowed 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.688 2.395 . . . . 0.0 114.878 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 118.494 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -170.41 1.98 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.389 2.275 . . . . 0.0 109.095 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -63.93 1.29 Allowed 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.943 2.097 . . . . 0.0 110.602 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -96.75 112.45 24.2 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 127.716 2.407 . . . . 0.0 112.378 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.05 -84.59 0.23 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.231 2.212 . . . . 0.0 110.045 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.37 -106.42 0.34 Allowed 'General case' 0 C--N 1.362 1.128 0 C-N-CA 125.19 1.396 . . . . 0.0 110.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.03 74.37 0.64 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.257 3.023 . . . . 0.0 115.361 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.324 2.0 t80 -158.39 157.03 31.54 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.68 130.25 7.34 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 101.061 -3.681 . . . . 0.0 101.061 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.266 3.7 m-20 -51.29 48.59 0.0 OUTLIER 'General case' 0 C--N 1.356 0.855 1 N-CA-C 123.082 4.475 . . . . 0.0 123.082 -178.706 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ttp -102.96 -11.9 17.87 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.394 2.678 . . . . 0.0 109.381 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ptm -126.07 54.45 1.54 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.808 2.043 . . . . 0.0 108.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -98.89 -138.66 0.31 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 127.038 2.135 . . . . 0.0 111.22 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.04 179.5 5.19 Favored 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.722 -1.861 . . . . 0.0 113.888 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -111.05 141.63 44.28 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 125.673 1.589 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttp . . . . . 0 N--CA 1.525 3.301 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -126.62 136.07 52.03 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.315 1.531 . . . . 0.0 114.849 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -38.94 9.36 Favored 'General case' 0 N--CA 1.441 -0.891 1 C-N-CA 131.813 4.045 . . . . 0.0 105.388 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 8' ' ' TYR . 1.3 mp -58.69 88.71 0.01 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 131.684 3.994 . . . . 0.0 113.695 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -48.58 -95.95 0.0 OUTLIER 'General case' 0 C--N 1.365 1.244 0 C-N-CA 131.404 3.881 . . . . 0.0 121.313 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.19 -67.68 0.94 Allowed 'General case' 0 C--N 1.356 0.848 0 C-N-CA 127.03 2.132 . . . . 0.0 108.792 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.792 2.037 . . . . 0.0 110.614 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' HE1' HD11 ' A' ' 4' ' ' LEU . 60.9 t80 -169.83 -167.69 0.69 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -113.23 -137.11 0.37 Allowed 'General case' 0 C--N 1.37 1.48 1 C-N-CA 131.768 4.027 . . . . 0.0 104.846 179.071 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -153.81 53.13 0.71 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.942 1.701 . . . . 0.0 111.532 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.8 mmt -107.55 3.64 25.17 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.256 -1.527 . . . . 0.0 108.931 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.97 131.11 3.79 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.39 -166.04 1.39 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.496 2.719 . . . . 0.0 113.301 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.44 22.26 15.3 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.762 2.025 . . . . 0.0 112.084 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -61.92 64.43 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 125.038 2.351 . . . . 0.0 116.25 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 117.392 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mmm . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.93 178.46 4.51 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.671 2.388 . . . . 0.0 110.152 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.89 46.02 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 128.854 2.861 . . . . 0.0 109.409 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 126.54 49.78 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.627 1.971 . . . . 0.0 113.988 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.514 ' CD ' ' H ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.525 2.33 . . . . 0.0 110.721 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.8 -73.46 0.15 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -85.91 68.6 10.39 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.693 3.197 . . . . 0.0 116.215 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.369 5.8 t80 -158.94 174.42 15.0 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 124.283 1.033 . . . . 0.0 109.067 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -155.81 -97.08 0.04 OUTLIER 'General case' 0 C--N 1.356 0.852 0 C-N-CA 128.103 2.561 . . . . 0.0 107.203 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -165.94 -13.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mtt -101.0 41.99 1.15 Allowed 'General case' 0 C--N 1.367 1.341 0 O-C-N 119.373 -2.08 . . . . 0.0 109.485 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.3 ptm -168.38 -166.86 0.73 Allowed 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 129.448 3.099 . . . . 0.0 103.76 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -161.52 166.95 26.32 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 102.024 -3.324 . . . . 0.0 102.024 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.44 87.18 0.0 OUTLIER 'General case' 0 C--N 1.37 1.467 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.27 69.69 0.15 Allowed 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 126.136 1.774 . . . . 0.0 114.95 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 118.403 -2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.553 0 CA-C-O 121.618 0.723 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -94.19 178.34 5.67 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 130.301 3.44 . . . . 0.0 114.561 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 20.02 19.21 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.458 3.103 . . . . 0.0 109.884 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD22 ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 124.27 25.58 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.286 3.434 . . . . 0.0 113.594 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -90.4 0.26 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.301 2.241 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -124.86 -96.97 0.44 Allowed 'General case' 0 C--N 1.363 1.171 0 C-N-CA 125.577 1.551 . . . . 0.0 111.131 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 63.86 0.07 Allowed 'General case' 0 C--N 1.373 1.59 0 C-N-CA 128.667 2.787 . . . . 0.0 116.07 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.642 ' CE2' HD22 ' A' ' 4' ' ' LEU 0.257 2.7 t80 -154.14 155.07 34.69 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.548 1.939 . . . . 0.0 107.061 -179.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.4 137.8 13.93 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 100.824 -3.769 . . . . 0.0 100.824 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 47.03 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 130.157 3.383 . . . . 0.0 119.876 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 mtm -118.19 -15.23 9.83 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 126.676 1.99 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -122.57 58.61 1.06 Allowed 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.127 2.171 . . . . 0.0 108.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -89.4 128.18 35.9 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.311 2.245 . . . . 0.0 110.119 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -68.52 135.99 52.44 Favored 'General case' 0 C--N 1.362 1.124 0 C-N-CA 127.134 2.174 . . . . 0.0 116.321 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.65 59.81 0.15 Allowed 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 119.528 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 mtt . . . . . 0 N--CA 1.501 2.125 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -151.52 155.21 38.03 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -108.59 -178.57 3.63 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.705 2.002 . . . . 0.0 110.299 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.53 84.51 7.63 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.583 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -101.74 -146.51 0.36 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 127.244 2.218 . . . . 0.0 108.301 179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' GLN . 10.7 m-20 -71.44 -39.0 71.3 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 129.71 3.204 . . . . 0.0 112.799 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.99 94.08 9.48 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 128.75 2.82 . . . . 0.0 110.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.434 ' CE2' HD21 ' A' ' 4' ' ' LEU . 27.6 t80 -144.79 156.85 44.26 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.846 -1.784 . . . . 0.0 109.236 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -161.26 127.2 3.79 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 128.743 2.817 . . . . 0.0 105.616 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -72.03 35.64 0.06 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 129.153 2.981 . . . . 0.0 117.508 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -19.56 13.44 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.015 2.526 . . . . 0.0 107.73 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -116.66 95.97 5.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.072 2.149 . . . . 0.0 106.491 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.96 21.95 16.21 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 123.837 1.78 . . . . 0.0 110.714 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -88.25 72.79 8.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 128.808 2.843 . . . . 0.0 111.515 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -68.02 83.93 0.22 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 125.578 2.608 . . . . 0.0 113.048 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.6 0 O-C-N 118.736 -2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.99 51.18 0.17 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-O 123.238 1.494 . . . . 0.0 111.603 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.06 53.09 0.76 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.41 2.684 . . . . 0.0 115.823 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.66 1.65 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 120.543 3.534 . . . . 0.0 120.543 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -2.83 10.2 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 127.817 2.447 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.77 -94.81 0.49 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.095 1.358 . . . . 0.0 112.581 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.78 46.9 1.55 Allowed 'General case' 0 C--N 1.364 1.23 0 O-C-N 120.138 -1.602 . . . . 0.0 112.686 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CD2' HD22 ' A' ' 4' ' ' LEU 0.415 7.4 t80 -154.63 135.06 13.35 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.993 1.717 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.4 138.17 26.07 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 131.133 3.773 . . . . 0.0 104.015 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -76.41 78.82 3.14 Favored 'General case' 0 C--N 1.361 1.093 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.5 mtm -138.29 -49.34 0.55 Allowed 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -82.52 49.05 1.38 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.193 2.597 . . . . 0.0 112.639 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.36 -13.36 60.14 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 126.975 2.11 . . . . 0.0 113.207 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 57.28 2.22 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 129.995 3.318 . . . . 0.0 112.605 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.72 63.12 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 128.616 2.766 . . . . 0.0 116.354 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.5 0 O-C-N 118.511 -2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptm . . . . . 0 N--CA 1.515 2.78 0 CA-C-O 122.485 1.136 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -96.73 150.58 20.53 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.368 3.067 . . . . 0.0 112.63 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -78.14 80.13 4.57 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 129.506 3.123 . . . . 0.0 112.799 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' H ' HE21 ' A' ' 5' ' ' GLN . 0.5 OUTLIER -134.73 24.72 3.68 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.231 2.213 . . . . 0.0 112.984 -179.051 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.486 HE21 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -107.73 -99.03 0.36 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 117.016 2.228 . . . . 0.0 117.016 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -78.08 -6.53 54.91 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 128.937 2.895 . . . . 0.0 115.603 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -154.91 -178.03 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 102.135 -3.283 . . . . 0.0 102.135 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 38.8 t80 -144.32 -176.24 4.95 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -98.54 -118.06 0.14 Allowed 'General case' 0 C--N 1.355 0.815 1 C-N-CA 133.773 4.829 . . . . 0.0 109.699 -179.809 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -166.91 67.51 0.09 Allowed 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.045 1.293 . . . . 0.0 113.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 ttp -144.72 14.74 1.56 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.223 1.809 . . . . 0.0 107.367 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 mtm -138.31 56.31 1.73 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 128.116 2.566 . . . . 0.0 104.669 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -83.42 -12.17 56.72 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 128.5 2.72 . . . . 0.0 114.751 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.27 5.22 51.46 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.021 1.728 . . . . 0.0 112.664 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -65.38 72.26 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 127.653 2.381 . . . . 0.0 113.389 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 O-C-N 118.625 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.77 -173.53 3.46 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.469 2.708 . . . . 0.0 104.306 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.96 -163.22 0.03 OUTLIER 'General case' 0 C--N 1.361 1.103 0 C-N-CA 129.191 2.996 . . . . 0.0 113.931 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tp -78.43 -157.23 0.11 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 117.727 -3.108 . . . . 0.0 112.294 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -34.07 59.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 118.609 -2.557 . . . . 0.0 117.224 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -135.37 -58.8 0.78 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 124.214 1.005 . . . . 0.0 110.55 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.19 161.46 26.82 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.639 ' CE1' HD13 ' A' ' 4' ' ' LEU . 6.4 t80 -147.29 176.21 10.17 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-N 120.027 1.285 . . . . 0.0 111.468 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -117.25 168.74 10.04 Favored 'General case' 0 C--N 1.365 1.275 1 C-N-CA 133.843 4.857 . . . . 0.0 108.084 179.545 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.55 83.03 2.93 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 118.596 -2.565 . . . . 0.0 114.332 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.28 -57.92 1.37 Allowed 'General case' 0 C--N 1.362 1.116 0 O-C-N 120.366 -1.458 . . . . 0.0 108.471 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.79 53.46 0.92 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 120.288 -1.508 . . . . 0.0 108.055 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.45 84.77 3.49 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 127.236 2.214 . . . . 0.0 108.718 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -89.81 75.39 7.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.458 2.303 . . . . 0.0 112.441 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -65.36 -49.16 70.42 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.334 1.454 . . . . 0.0 113.363 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.764 0 O-C-N 118.488 -2.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.35 147.03 43.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.343 0.974 . . . . 0.0 109.52 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.8 pm0 -86.53 49.26 1.77 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 130.521 3.528 . . . . 0.0 114.465 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 89.06 3.01 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 127.92 2.488 . . . . 0.0 106.473 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' H ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -94.9 -170.83 2.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.759 2.024 . . . . 0.0 110.263 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -39.7 37.18 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 131.527 3.931 . . . . 0.0 116.419 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -109.99 112.51 24.57 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -133.27 158.12 43.73 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 121.003 -1.061 . . . . 0.0 108.723 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -146.33 -102.36 0.1 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.881 2.472 . . . . 0.0 106.998 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 179.78 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 111.707 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -76.05 48.67 0.51 Allowed 'General case' 0 C--N 1.364 1.204 0 O-C-N 119.17 -2.206 . . . . 0.0 114.416 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.67 3.87 0.65 Allowed 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 131.049 3.74 . . . . 0.0 110.441 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.39 -24.97 67.68 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 128.661 2.784 . . . . 0.0 116.366 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -101.57 155.64 17.97 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 130.125 3.37 . . . . 0.0 110.202 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -70.79 69.34 0.44 Allowed 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.632 -1.918 . . . . 0.0 114.641 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.551 0 O-C-N 119.075 -2.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -90.11 177.45 6.44 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 128.825 2.85 . . . . 0.0 114.27 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 94.27 9.81 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 126.495 1.918 . . . . 0.0 110.42 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.23 -27.19 0.17 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.717 2.007 . . . . 0.0 112.395 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -66.69 -61.96 1.7 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 129.483 3.113 . . . . 0.0 118.199 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -24.56 5.04 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -102.28 168.43 9.35 Favored 'General case' 0 N--CA 1.438 -1.06 1 C-N-CA 133.816 4.846 . . . . 0.0 107.969 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 31.8 t80 -175.53 171.07 2.87 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 119.877 1.217 . . . . 0.0 108.653 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -94.98 -144.33 0.26 Allowed 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.59 4.756 . . . . 0.0 106.219 179.16 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.1 31.26 1.13 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.145 -1.597 . . . . 0.0 111.063 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttm -85.1 -2.49 58.06 Favored 'General case' 0 C--N 1.366 1.287 0 O-C-N 119.466 -2.021 . . . . 0.0 114.916 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.33 46.91 1.9 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.49 1.916 . . . . 0.0 106.391 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -72.82 123.48 23.46 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 128.55 2.74 . . . . 0.0 114.768 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -73.01 141.41 47.7 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 128.445 2.698 . . . . 0.0 116.248 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.23 43.42 0.1 Allowed 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.554 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -72.79 123.71 23.9 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 130.341 3.457 . . . . 0.0 117.184 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.01 77.51 2.19 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.58 2.352 . . . . 0.0 108.738 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -97.58 32.02 2.41 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.465 1.906 . . . . 0.0 113.235 -179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -78.57 0.16 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.47 -71.7 0.65 Allowed 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.559 1.544 . . . . 0.0 111.819 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.14 135.98 42.77 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.514 1.526 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 4' ' ' LEU . 37.7 t80 -147.26 144.84 29.15 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -157.19 131.55 8.49 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.33 44.01 0.03 OUTLIER 'General case' 0 C--N 1.36 1.056 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.03 -25.57 11.54 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.732 2.813 . . . . 0.0 108.553 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.45 77.79 1.07 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.14 2.576 . . . . 0.0 105.658 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.03 92.38 4.99 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.064 2.145 . . . . 0.0 105.946 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.22 94.63 0.53 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 129.117 2.967 . . . . 0.0 116.733 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -60.48 72.1 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.178 0 C-N-CA 127.989 2.516 . . . . 0.0 116.831 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.167 -2.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_