data_1plx_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 1plx _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.792 -0.123 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.229 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.726 -0.15 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.842 -0.103 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 120.396 -0.113 . . . . 0.0 113.065 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.654 -0.178 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.808 -0.117 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.884 -0.087 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.172 0 N-CA-C 112.76 -0.136 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 120.481 -0.066 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 N-CA-C 112.898 -0.081 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.784 -0.126 . . . . 0.0 112.784 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.766 -0.134 . . . . 0.0 112.766 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.643 -0.183 . . . . 0.0 112.643 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.869 -0.093 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.445 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 5' ' ' MET . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.417 ' HE2' ' CE1' ' A' ' 4' ' ' PHE . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CE1' ' HE1' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HE1' ' CE1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.813 -0.115 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 120.476 -0.069 . . . . 0.0 112.947 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 CA-C-O 120.395 -0.114 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 120.465 -0.075 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 120.483 -0.065 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.455 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.671 -0.172 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.626 -0.189 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.408 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.73 -0.148 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.406 -0.108 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.893 -0.083 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.19 0 N-CA-C 112.747 -0.141 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.472 -0.071 . . . . 0.0 112.97 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.618 -0.193 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.406 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.452 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.414 -0.104 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.478 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.717 -0.153 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.494 -0.059 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.402 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.272 -0.331 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.249 0 CA-C-O 120.53 -0.039 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.197 0 CA-C-O 120.496 -0.058 . . . . 0.0 113.225 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.301 -0.32 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.86 -0.096 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.47 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.183 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 N-CA-C 112.843 -0.103 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 079 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 080 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.918 0.39 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.48 -21.96 1.35 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.587 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.02 29.89 2.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 9.6 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.913 0.387 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.32 77.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.58 30.67 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.416 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 1' ' ' TYR . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.991 0.424 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.96 -22.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.518 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.82 26.44 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.792 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.809 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.69 -18.09 1.27 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.732 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.36 16.22 6.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.84 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.888 0.375 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.58 -20.36 2.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.7 42.1 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.6 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.18 -19.85 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.731 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.16 22.67 3.76 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.771 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 t80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.86 0.362 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.27 -22.82 1.39 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.514 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 29.69 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.726 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.3 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.59 -30.8 0.57 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.427 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.25 37.44 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.842 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 121.033 0.444 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.49 -25.77 0.25 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.28 1.29 6.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 113.065 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.92 0.39 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.1 -22.84 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.53 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.18 39.96 1.0 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.493 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.5 1.54 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.571 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.24 37.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.654 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 19.9 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.989 0.424 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.43 -26.57 0.68 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.377 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.11 37.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.808 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.67 -28.62 0.75 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.599 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.15 0.72 Allowed Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.884 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.44 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.72 -20.85 1.02 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.688 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.71 23.61 4.29 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.76 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.15 -25.11 1.13 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.49 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.1 36.02 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.637 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 20.3 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 121.02 0.438 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 -23.82 0.87 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.565 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.29 25.92 2.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.957 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.89 -20.18 1.97 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.22 28.14 3.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.605 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.422 ' CE1' ' HE2' ' A' ' 5' ' ' MET . 21.7 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.899 0.381 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.85 -24.78 0.72 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.579 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.89 28.75 1.49 Allowed Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.898 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.32 -18.43 2.09 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.538 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.88 43.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.429 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.69 -20.53 1.47 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.585 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.48 40.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.88 -18.78 1.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.448 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.34 17.08 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.784 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.434 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.8 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.801 0.334 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.67 -49.13 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.469 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.59 42.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.766 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.831 0.348 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.43 -21.38 1.7 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.521 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.47 3.17 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.643 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.923 0.392 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.72 -19.89 0.89 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.32 7.11 8.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.869 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.445 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.865 0.364 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.56 -23.92 1.06 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.656 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.75 38.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.433 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.32 -19.39 1.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.13 27.29 4.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.556 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.884 0.373 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.77 -22.01 1.81 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.762 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.14 39.0 1.08 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.953 0.406 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.79 -25.32 1.48 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.46 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.37 0.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.661 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.17 -18.52 2.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.47 43.03 1.91 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 5' ' ' MET . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.417 ' HE2' ' CE1' ' A' ' 4' ' ' PHE . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.6 -20.7 2.38 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.03 28.93 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CE1' ' HE1' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HE1' ' CE1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.0 t80 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.49 -18.98 2.05 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.655 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.47 3.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.946 0.403 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.53 -21.72 1.05 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.522 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.69 26.86 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.813 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 23.0 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.861 0.363 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.5 -22.04 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.59 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.95 -12.15 2.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.947 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 22.4 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.78 -20.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.597 179.863 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.24 7.18 5.98 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.083 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 1' ' ' TYR . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 25.3 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.28 0.73 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.617 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.3 -3.46 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.025 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 22.7 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 -56.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.61 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.21 41.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.791 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.33 -23.21 0.66 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.634 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.14 -2.08 5.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.944 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CD1' ' HE1' ' A' ' 5' ' ' MET . 20.8 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.45 -23.28 0.85 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.668 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.52 25.41 2.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.941 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.455 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.876 0.369 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.79 -26.35 1.31 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.554 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.54 35.9 0.72 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.671 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.886 0.374 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.58 -21.66 1.85 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.46 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.58 28.33 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.626 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.927 0.394 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.36 -21.29 1.21 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.592 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.05 28.88 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.596 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.87 -19.12 1.98 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.567 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.94 28.65 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.414 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 18.7 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -25.17 1.02 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.675 179.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.25 38.5 0.59 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.891 0.376 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -19.28 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 24.28 4.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.73 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.93 0.395 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.77 -23.79 0.41 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.651 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.68 -7.05 3.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.669 -0.776 . . . . 0.0 113.081 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.415 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.0 t80 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.77 -29.31 0.83 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.556 179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.86 34.35 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.893 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.0 -20.58 1.25 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.704 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.85 27.33 3.03 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.8 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.915 0.388 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.55 -19.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.586 179.804 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.7 4.11 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.747 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.4 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.6 -24.64 0.84 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.748 179.723 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.64 30.8 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.97 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.941 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.11 -19.69 2.12 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.17 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.973 0.416 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 -22.88 1.59 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.633 179.761 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.95 39.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.618 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CE1' ' HE2' ' A' ' 5' ' ' MET . 21.4 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.89 -18.28 1.6 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.69 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.72 33.22 2.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.603 179.861 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.75 -21.56 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.607 179.907 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.4 39.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.534 179.896 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.406 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.889 0.376 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 -25.71 1.59 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.527 179.822 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.89 37.6 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.677 179.932 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.933 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.81 -26.03 1.31 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.547 179.839 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.57 35.91 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.639 179.776 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.487 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.929 0.395 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.01 54.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.719 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.22 25.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.633 179.832 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.809 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.94 25.15 53.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.13 52.78 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.332 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.452 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.55 28.04 68.29 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.65 52.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.8 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.45 65.94 2.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.26 5.65 2.04 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.247 179.876 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.478 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.481 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.43 5.46 55.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.936 179.897 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.65 24.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.717 179.875 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.46 60.29 1.47 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.722 179.785 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.4 42.68 2.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.583 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 1' ' ' TYR . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 6.1 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.37 64.7 2.43 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.69 -6.14 2.91 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.035 179.982 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.507 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.943 0.401 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.2 60.31 1.49 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.722 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.94 41.95 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.66 179.843 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CE1' ' CD1' ' A' ' 1' ' ' TYR . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.402 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.849 0.357 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.45 38.52 69.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.46 50.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.91 0.386 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.24 14.16 71.12 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.577 -179.852 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.04 -16.36 2.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.162 -179.888 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.2 t80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.83 0.348 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.79 52.55 19.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.19 51.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.272 179.964 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 2.4 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.28 63.65 2.02 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.89 1.34 3.34 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.101 179.835 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.872 0.368 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.09 59.79 2.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.856 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.59 -3.53 6.58 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.225 179.663 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.532 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.5 11.38 80.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.56 33.55 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.845 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 3.2 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.98 54.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.96 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.13 26.62 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.889 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.5 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.873 0.368 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.25 12.89 78.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.707 179.978 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.3 32.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.894 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.531 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.37 66.37 2.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.1 10.4 4.26 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.86 179.949 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.904 0.383 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.68 2.35 84.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.74 -179.972 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.23 26.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.009 0.433 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.88 67.86 1.97 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.88 9.41 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.711 -179.933 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.2 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.0 66.93 2.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.21 12.33 5.82 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.662 -179.896 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.85 0.357 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.23 -4.62 82.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.845 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.71 23.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.635 179.95 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' CD1' ' CE1' ' A' ' 1' ' ' TYR . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 8.5 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.8 46.46 30.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.55 52.23 0.23 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.56 54.22 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.54 49.24 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.326 -179.92 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.542 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 5.5 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.29 64.07 2.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.556 179.863 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.49 4.7 9.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.843 179.959 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.13 63.29 2.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.61 179.952 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.38 3.36 11.6 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.84 179.986 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.792 -0.123 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.229 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.726 -0.15 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.842 -0.103 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 120.396 -0.113 . . . . 0.0 113.065 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.654 -0.178 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.808 -0.117 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.884 -0.087 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.172 0 N-CA-C 112.76 -0.136 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 120.481 -0.066 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 N-CA-C 112.898 -0.081 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.784 -0.126 . . . . 0.0 112.784 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.766 -0.134 . . . . 0.0 112.766 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.643 -0.183 . . . . 0.0 112.643 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.869 -0.093 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.813 -0.115 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 120.476 -0.069 . . . . 0.0 112.947 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 CA-C-O 120.395 -0.114 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 120.465 -0.075 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 120.483 -0.065 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.671 -0.172 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.626 -0.189 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.73 -0.148 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.406 -0.108 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.893 -0.083 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.19 0 N-CA-C 112.747 -0.141 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.472 -0.071 . . . . 0.0 112.97 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.618 -0.193 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.414 -0.104 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.717 -0.153 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.494 -0.059 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.272 -0.331 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.249 0 CA-C-O 120.53 -0.039 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.197 0 CA-C-O 120.496 -0.058 . . . . 0.0 113.225 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.301 -0.32 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.86 -0.096 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.183 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 N-CA-C 112.843 -0.103 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 079 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 080 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.918 0.39 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.48 -21.96 1.35 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.587 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.02 29.89 2.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 9.6 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.913 0.387 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.32 77.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.58 30.67 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.416 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 1' ' ' TYR . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.991 0.424 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.96 -22.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.518 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.82 26.44 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.792 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.809 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.69 -18.09 1.27 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.732 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.36 16.22 6.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.84 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.888 0.375 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.58 -20.36 2.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.7 42.1 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.6 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.18 -19.85 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.731 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.16 22.67 3.76 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.771 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 t80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.86 0.362 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.27 -22.82 1.39 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.514 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 29.69 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.726 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.465 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.3 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.59 -30.8 0.57 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.427 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.25 37.44 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.842 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 121.033 0.444 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.49 -25.77 0.25 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.28 1.29 6.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 113.065 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.92 0.39 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.1 -22.84 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.53 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.18 39.96 1.0 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.493 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.5 1.54 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.571 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.24 37.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.654 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 19.9 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.989 0.424 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.43 -26.57 0.68 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.377 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.11 37.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.808 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.423 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.67 -28.62 0.75 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.599 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.15 0.72 Allowed Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.884 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.72 -20.85 1.02 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.688 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.71 23.61 4.29 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.76 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.15 -25.11 1.13 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.49 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.1 36.02 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.637 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.416 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.3 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 121.02 0.438 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 -23.82 0.87 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.565 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.29 25.92 2.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.957 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.89 -20.18 1.97 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.22 28.14 3.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.605 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.505 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 21.7 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.899 0.381 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.85 -24.78 0.72 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.579 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.89 28.75 1.49 Allowed Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.898 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.505 ' HE3' ' CE1' ' A' ' 1' ' ' TYR . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.32 -18.43 2.09 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.538 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.88 43.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.429 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.69 -20.53 1.47 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.585 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.48 40.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.88 -18.78 1.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.448 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.34 17.08 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.784 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.458 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.8 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.801 0.334 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.67 -49.13 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.469 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.59 42.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.766 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.831 0.348 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.43 -21.38 1.7 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.521 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.47 3.17 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.643 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.923 0.392 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.72 -19.89 0.89 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.32 7.11 8.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.869 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.865 0.364 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.56 -23.92 1.06 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.656 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.75 38.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.32 -19.39 1.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.13 27.29 4.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.556 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.884 0.373 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.77 -22.01 1.81 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.762 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.14 39.0 1.08 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.953 0.406 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.79 -25.32 1.48 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.46 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.37 0.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.661 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.17 -18.52 2.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.47 43.03 1.91 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.6 -20.7 2.38 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.03 28.93 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.0 t80 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.49 -18.98 2.05 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.655 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.47 3.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.946 0.403 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.53 -21.72 1.05 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.522 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.69 26.86 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.813 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.861 0.363 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.5 -22.04 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.59 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.95 -12.15 2.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.947 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 22.4 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.78 -20.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.597 179.863 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.24 7.18 5.98 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.083 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 1' ' ' TYR . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 25.3 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.28 0.73 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.617 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.3 -3.46 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.025 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 1' ' ' TYR . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 22.7 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 -56.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.61 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.21 41.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.791 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.33 -23.21 0.66 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.634 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.14 -2.08 5.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.944 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.8 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.45 -23.28 0.85 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.668 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.52 25.41 2.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.941 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.692 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.876 0.369 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.79 -26.35 1.31 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.554 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.54 35.9 0.72 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.671 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.886 0.374 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.58 -21.66 1.85 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.46 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.58 28.33 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.626 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.927 0.394 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.36 -21.29 1.21 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.592 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.05 28.88 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.596 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.87 -19.12 1.98 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.567 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.94 28.65 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 18.7 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -25.17 1.02 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.675 179.787 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.25 38.5 0.59 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.891 0.376 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -19.28 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 24.28 4.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.73 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.93 0.395 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.77 -23.79 0.41 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.651 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.68 -7.05 3.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.669 -0.776 . . . . 0.0 113.081 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.0 t80 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.77 -29.31 0.83 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.556 179.666 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.86 34.35 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.893 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.0 -20.58 1.25 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.704 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.85 27.33 3.03 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.8 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.915 0.388 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.55 -19.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.586 179.804 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.7 4.11 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.747 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.453 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.4 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.6 -24.64 0.84 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.748 179.723 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.64 30.8 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.97 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.941 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.11 -19.69 2.12 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.17 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.973 0.416 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 -22.88 1.59 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.633 179.761 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.95 39.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.618 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.89 -18.28 1.6 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.69 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.72 33.22 2.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.603 179.861 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.75 -21.56 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.607 179.907 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.4 39.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.534 179.896 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.889 0.376 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 -25.71 1.59 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.527 179.822 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.89 37.6 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.677 179.932 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.933 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.81 -26.03 1.31 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.547 179.839 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.57 35.91 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.639 179.776 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.487 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.929 0.395 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.01 54.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.719 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.22 25.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.633 179.832 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.809 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.94 25.15 53.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.13 52.78 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.332 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.55 28.04 68.29 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.65 52.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.8 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.45 65.94 2.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.26 5.65 2.04 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.247 179.876 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.481 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.43 5.46 55.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.936 179.897 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.65 24.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.717 179.875 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.46 60.29 1.47 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.722 179.785 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.4 42.68 2.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.583 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 1' ' ' TYR . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 6.1 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.37 64.7 2.43 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.69 -6.14 2.91 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.035 179.982 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.943 0.401 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.2 60.31 1.49 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.722 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.94 41.95 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.66 179.843 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.849 0.357 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.45 38.52 69.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.46 50.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.91 0.386 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.24 14.16 71.12 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.577 -179.852 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.04 -16.36 2.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.162 -179.888 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.2 t80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.83 0.348 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.79 52.55 19.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.19 51.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.272 179.964 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 2.4 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.28 63.65 2.02 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.89 1.34 3.34 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.101 179.835 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.872 0.368 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.09 59.79 2.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.856 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.59 -3.53 6.58 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.225 179.663 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.532 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.5 11.38 80.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.56 33.55 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.845 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 3.2 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.98 54.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.96 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.13 26.62 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.889 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.5 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.873 0.368 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.25 12.89 78.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.707 179.978 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.3 32.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.894 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.531 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.37 66.37 2.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.1 10.4 4.26 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.86 179.949 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.904 0.383 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.68 2.35 84.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.74 -179.972 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.23 26.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.009 0.433 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.88 67.86 1.97 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.88 9.41 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.711 -179.933 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.2 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.0 66.93 2.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.21 12.33 5.82 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.662 -179.896 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.85 0.357 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.23 -4.62 82.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.845 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.71 23.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.635 179.95 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' CD1' ' CE1' ' A' ' 1' ' ' TYR . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 8.5 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.8 46.46 30.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.55 52.23 0.23 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.56 54.22 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.54 49.24 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.326 -179.92 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.542 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 5.5 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.29 64.07 2.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.556 179.863 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.49 4.7 9.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.843 179.959 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.13 63.29 2.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.61 179.952 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.38 3.36 11.6 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.84 179.986 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.792 -0.123 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.229 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.726 -0.15 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.842 -0.103 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 120.396 -0.113 . . . . 0.0 113.065 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.654 -0.178 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.808 -0.117 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.884 -0.087 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.172 0 N-CA-C 112.76 -0.136 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 120.481 -0.066 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 N-CA-C 112.898 -0.081 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.784 -0.126 . . . . 0.0 112.784 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.766 -0.134 . . . . 0.0 112.766 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.643 -0.183 . . . . 0.0 112.643 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.869 -0.093 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.813 -0.115 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 120.476 -0.069 . . . . 0.0 112.947 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 CA-C-O 120.395 -0.114 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.791 -0.124 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 120.465 -0.075 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 120.483 -0.065 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.671 -0.172 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.626 -0.189 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.73 -0.148 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 CA-C-O 120.406 -0.108 . . . . 0.0 113.081 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.893 -0.083 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.19 0 N-CA-C 112.747 -0.141 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 120.472 -0.071 . . . . 0.0 112.97 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.618 -0.193 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.633 -0.187 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.332 -0.307 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.316 0 CA-C-O 120.414 -0.104 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.717 -0.153 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.494 -0.059 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.66 -0.176 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 120.478 -0.068 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.272 -0.331 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.249 0 CA-C-O 120.53 -0.039 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.197 0 CA-C-O 120.496 -0.058 . . . . 0.0 113.225 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.301 -0.32 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.86 -0.096 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.183 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 112.334 -0.306 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 N-CA-C 112.843 -0.103 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.84 -0.104 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.918 0.39 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.48 -21.96 1.35 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.587 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.02 29.89 2.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.561 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.629 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.878 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 9.6 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.913 0.387 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.32 77.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.831 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.58 30.67 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.416 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 1' ' ' TYR . 34.2 p90 -88.08 -39.3 14.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.432 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 27.7 mtm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.799 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.991 0.424 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.96 -22.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.518 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.82 26.44 2.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.792 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.3 p90 -83.94 -37.39 22.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 56.4 mtm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.809 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.69 -18.09 1.27 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.732 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.36 16.22 6.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.84 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' MET . 31.9 p90 -75.31 -40.03 58.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.125 0.488 . . . . 0.0 110.411 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.449 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.805 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.888 0.375 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.58 -20.36 2.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.7 42.1 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 15.4 p90 -91.14 -40.04 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.801 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.6 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.18 -19.85 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.731 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.16 22.67 3.76 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.771 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 4.8 p90 -83.84 -36.65 23.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 7.0 mtt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 t80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.86 0.362 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.27 -22.82 1.39 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.514 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.3 29.69 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.726 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 8.1 p90 -87.28 -37.62 17.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.453 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.465 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.3 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.59 -30.8 0.57 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.427 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.25 37.44 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.842 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 5.0 p90 -87.2 -37.03 17.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 72.5 mtm . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 121.033 0.444 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.49 -25.77 0.25 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.436 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.28 1.29 6.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 0.0 113.065 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.6 p90 -73.83 -35.55 64.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.46 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 71.9 mtm . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.92 0.39 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.1 -22.84 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.53 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.18 39.96 1.0 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.493 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -90.25 -39.89 12.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.851 0.357 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.5 1.54 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.571 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.24 37.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.654 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.0 p90 -90.74 -39.03 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.72 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.8 ptt? . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 19.9 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.989 0.424 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.43 -26.57 0.68 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.377 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.11 37.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.808 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 9.4 p90 -91.11 -39.18 12.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.919 0.39 . . . . 0.0 110.688 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.423 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.67 -28.62 0.75 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.599 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.15 0.72 Allowed Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.884 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 3.5 p90 -82.38 -34.78 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.765 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.879 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.72 -20.85 1.02 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.688 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.71 23.61 4.29 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.76 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -87.68 -36.42 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.057 0.456 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.873 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.933 0.397 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.15 -25.11 1.13 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.49 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.1 36.02 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.637 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 9.9 p90 -88.43 -39.02 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 23.2 mtm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.416 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.3 t80 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 121.02 0.438 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 -23.82 0.87 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.565 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.29 25.92 2.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.957 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.7 p90 -74.92 -33.42 61.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.959 0.409 . . . . 0.0 110.824 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.485 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.785 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.89 -20.18 1.97 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.22 28.14 3.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.605 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.99 -37.57 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.654 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.505 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 21.7 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.899 0.381 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.85 -24.78 0.72 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.579 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.89 28.75 1.49 Allowed Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.898 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 2.0 p90 -78.66 -34.09 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.505 ' HE3' ' CE1' ' A' ' 1' ' ' TYR . 3.8 mtm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.823 0.344 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.32 -18.43 2.09 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.538 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.88 43.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.429 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 5' ' ' MET . 17.6 p90 -91.49 -40.22 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 19.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.69 -20.53 1.47 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.585 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.48 40.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.514 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -90.03 -40.0 12.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.1 ptp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.895 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.88 -18.78 1.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.448 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.34 17.08 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.784 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -84.75 -36.1 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.426 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.859 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.458 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 23.8 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.801 0.334 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.67 -49.13 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.469 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.59 42.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.766 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 1.1 p90 -81.04 -32.62 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.774 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.831 0.348 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.43 -21.38 1.7 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.521 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.47 3.17 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.643 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.4 p90 -86.66 -37.33 18.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.5 mtm . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.923 0.392 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.72 -19.89 0.89 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.32 7.11 8.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.869 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 8.3 p90 -74.89 -36.96 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.609 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.865 0.364 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.56 -23.92 1.06 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.656 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.75 38.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.515 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 5.2 p90 -86.1 -39.42 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.878 0.37 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.32 -19.39 1.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.13 27.29 4.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.556 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 5.6 p90 -88.56 -37.44 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.884 0.373 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.77 -22.01 1.81 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.762 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.14 39.0 1.08 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -86.4 -39.25 16.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 111.012 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.953 0.406 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.79 -25.32 1.48 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.46 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.37 0.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.661 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 5' ' ' MET . 10.4 p90 -90.58 -39.23 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 179.742 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.422 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 21.8 ptp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.17 -18.52 2.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.47 43.03 1.91 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -92.18 -40.06 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.984 0.421 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.898 -179.955 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.6 -20.7 2.38 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.03 28.93 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' MET . 7.5 p90 -89.27 -37.62 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 4.0 ptt? . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.0 t80 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.49 -18.98 2.05 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.655 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.17 35.47 3.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -89.88 -39.01 13.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.903 -179.954 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.946 0.403 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.53 -21.72 1.05 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.522 179.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.69 26.86 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.813 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.8 p90 -86.07 -37.02 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.5 mtm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.861 0.363 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.5 -22.04 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.59 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.95 -12.15 2.36 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.947 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -31.29 65.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 22.4 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.78 -20.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.597 179.863 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.24 7.18 5.98 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.083 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 1' ' ' TYR . 10.0 p90 -72.72 -38.08 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 0.0 110.617 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.858 179.943 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 25.3 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.28 0.73 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.617 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.3 -3.46 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.025 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 1' ' ' TYR . 9.5 p90 -69.92 -36.22 75.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.466 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 10.3 mtt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 22.7 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 -56.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.61 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.21 41.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.791 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 7.3 p90 -91.49 -38.08 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 28.8 mtm . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.33 -23.21 0.66 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.634 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.14 -2.08 5.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.944 179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 6.7 p90 -69.74 -36.6 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.525 179.678 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 9.0 mtt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.8 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.45 -23.28 0.85 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.668 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.52 25.41 2.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.941 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 1.3 p90 -72.78 -33.17 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.692 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.876 0.369 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.79 -26.35 1.31 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.554 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.54 35.9 0.72 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.671 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 7.5 p90 -87.7 -38.62 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.46 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 28.2 mtm . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.886 0.374 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.58 -21.66 1.85 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.46 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.58 28.33 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.626 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -87.91 -37.93 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.927 0.394 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.36 -21.29 1.21 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.592 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.05 28.88 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.596 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 6.2 p90 -86.98 -38.0 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.665 179.757 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.87 -19.12 1.98 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.567 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.94 28.65 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 6.3 p90 -87.52 -37.8 16.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.756 179.712 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 3.0 ptt? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 18.7 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -25.17 1.02 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.675 179.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.25 38.5 0.59 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 9.5 p90 -91.74 -38.86 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 ptt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.891 0.376 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.39 -19.28 1.52 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.566 179.784 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 24.28 4.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.73 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -86.93 -36.88 18.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.533 179.662 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.803 -179.989 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.93 0.395 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.77 -23.79 0.41 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.651 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.68 -7.05 3.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.669 -0.776 . . . . 0.0 113.081 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.4 p90 -69.85 -35.32 74.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.682 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mtt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.0 t80 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.77 -29.31 0.83 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.556 179.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.86 34.35 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.893 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 2.9 p90 -79.74 -33.73 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.0 110.788 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.766 -179.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.0 -20.58 1.25 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.704 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.85 27.33 3.03 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 5.2 p90 -85.07 -37.45 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 5.7 mtt . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . 18.8 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.915 0.388 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.55 -19.28 1.49 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.586 179.804 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.7 4.11 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.747 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 3.9 p90 -85.09 -36.65 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 6.8 mtt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.453 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 20.4 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.887 0.375 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.6 -24.64 0.84 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.748 179.723 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.64 30.8 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.97 179.699 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 1' ' ' TYR . 2.5 p90 -77.73 -34.05 52.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.743 179.756 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.941 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.11 -19.69 2.12 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.17 1.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -92.73 -40.14 10.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.973 0.416 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 -22.88 1.59 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.633 179.761 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.95 39.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.618 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -90.19 -39.47 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.939 0.4 . . . . 0.0 110.832 179.817 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.894 -179.949 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 t80 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.89 -18.28 1.6 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.69 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.72 33.22 2.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.603 179.861 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 9.5 p90 -88.68 -38.72 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.021 0.439 . . . . 0.0 110.6 179.698 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.75 -21.56 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.607 179.907 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.4 39.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.534 179.896 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' MET . 11.0 p90 -90.45 -39.78 12.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.405 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 3.3 ptt? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.827 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.889 0.376 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 -25.71 1.59 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.527 179.822 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.89 37.6 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.677 179.932 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 5' ' ' MET . 9.8 p90 -90.15 -39.42 12.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 110.727 179.764 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.951 179.87 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.933 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.81 -26.03 1.31 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.547 179.839 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.57 35.91 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.639 179.776 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 10.0 p90 -88.1 -38.49 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.944 179.866 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 4.7 mtt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.487 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.929 0.395 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.28 2.01 54.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.719 179.963 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.22 25.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.633 179.832 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.5 p90 -75.14 -43.14 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.376 179.687 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.809 0.338 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.94 25.15 53.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.13 52.78 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.332 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 20.3 p90 -110.09 -39.14 5.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.287 0.565 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 24.5 mtm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.4 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.55 28.04 68.29 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.536 179.983 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.65 52.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 28.5 p90 -109.98 -39.5 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.271 0.558 . . . . 0.0 110.177 179.69 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.072 -179.786 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.8 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.45 65.94 2.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.26 5.65 2.04 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.247 179.876 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 35.6 p90 -69.67 -39.4 77.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.22 0.533 . . . . 0.0 110.383 179.736 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 24.0 mtm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.826 179.876 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.481 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 2.2 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.43 5.46 55.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.936 179.897 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.65 24.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.717 179.875 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 40.6 p90 -77.41 -42.11 37.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 110.348 179.596 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.508 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.46 60.29 1.47 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.722 179.785 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.4 42.68 2.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.583 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 1' ' ' TYR . 29.9 p90 -98.67 -39.67 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.182 0.515 . . . . 0.0 110.267 179.553 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 6.1 t80 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.37 64.7 2.43 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.412 179.969 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.69 -6.14 2.91 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.688 -0.767 . . . . 0.0 113.035 179.982 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.1 p90 -69.46 -37.77 77.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.4 0.619 . . . . 0.0 109.977 179.497 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.807 179.867 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.943 0.401 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.2 60.31 1.49 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.722 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.94 41.95 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.66 179.843 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 30.9 p90 -98.34 -39.61 8.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.464 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.051 -179.878 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.9 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.849 0.357 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.45 38.52 69.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.46 50.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.7 p90 -109.93 -38.56 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.249 0.547 . . . . 0.0 110.248 179.825 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 13.8 mtm . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.91 0.386 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.24 14.16 71.12 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.577 -179.852 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.04 -16.36 2.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.162 -179.888 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -69.65 -34.87 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.385 0.612 . . . . 0.0 109.932 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.899 179.941 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.2 t80 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.83 0.348 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.79 52.55 19.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.19 51.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.272 179.964 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 22.6 p90 -110.08 -39.13 5.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.294 0.568 . . . . 0.0 110.178 179.799 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 2.4 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.28 63.65 2.02 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.89 1.34 3.34 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.101 179.835 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 40.6 p90 -69.68 -39.64 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.342 0.591 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 2.3 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.872 0.368 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.09 59.79 2.86 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.856 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.59 -3.53 6.58 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.225 179.663 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.5 p90 -69.82 -38.11 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.162 179.468 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.532 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.5 11.38 80.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.56 33.55 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.433 179.845 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 38.7 p90 -90.83 -40.33 11.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.359 0.6 . . . . 0.0 110.214 179.615 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CZ ' ' CE1' ' A' ' 4' ' ' PHE . 3.2 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.98 54.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.611 -179.96 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.13 26.62 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.889 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 29.7 p90 -91.58 -36.78 13.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 0.0 110.269 179.597 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.589 ' HE3' ' H ' ' A' ' 5' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.722 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.5 t80 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.873 0.368 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.25 12.89 78.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.707 179.978 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.3 32.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.894 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 31.5 p90 -91.58 -37.93 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.252 0.549 . . . . 0.0 110.571 179.734 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 6.9 mtm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.531 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.37 66.37 2.43 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.1 10.4 4.26 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.86 179.949 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 42.3 p90 -69.76 -41.7 74.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.261 0.553 . . . . 0.0 110.292 179.605 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.07 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 10.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.904 0.383 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.68 2.35 84.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.74 -179.972 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -160.23 26.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 32.3 p90 -77.49 -41.41 39.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.709 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.5 mtm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.784 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.009 0.433 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.88 67.86 1.97 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.88 9.41 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.711 -179.933 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 39.0 p90 -69.89 -41.24 75.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.159 0.505 . . . . 0.0 110.322 179.623 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 4.2 ptt? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 11.2 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.0 66.93 2.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.21 12.33 5.82 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.662 -179.896 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 41.2 p90 -69.79 -41.99 74.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 4' ' ' PHE . 10.8 t80 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.85 0.357 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.23 -4.62 82.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.845 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.71 23.15 0.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.635 179.95 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' CD1' ' CE1' ' A' ' 1' ' ' TYR . 37.9 p90 -69.99 -44.47 69.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.092 0.472 . . . . 0.0 110.6 179.721 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 8.5 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.8 46.46 30.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.55 52.23 0.23 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 15.1 p90 -109.67 -38.8 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.158 0.504 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.457 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.0 mtt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 9.4 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.56 54.22 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.54 49.24 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.326 -179.92 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 19.6 p90 -106.99 -39.24 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.251 0.548 . . . . 0.0 110.228 179.796 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.542 ' CE1' ' CE1' ' A' ' 4' ' ' PHE . 5.5 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.29 64.07 2.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.556 179.863 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.49 4.7 9.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.843 179.959 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' CE1' ' A' ' 1' ' ' TYR . 36.4 p90 -69.8 -38.84 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 110.51 179.8 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.479 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 20.1 mtm . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.798 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.13 63.29 2.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.61 179.952 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.38 3.36 11.6 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.84 179.986 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -69.75 -40.02 76.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.371 0.605 . . . . 0.0 110.159 179.494 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 stop_ save_