data_1plw_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 1plw _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 -0.399 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 120.879 0.155 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.391 -0.283 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.897 -0.081 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.872 -0.091 . . . . 0.0 112.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.746 -0.142 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.749 -0.14 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.679 -0.168 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.393 -0.283 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.422 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 CA-C-O 120.762 0.09 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.294 -0.323 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 N-CA-C 112.665 -0.174 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.436 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.819 -0.112 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.758 -0.137 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 120.799 0.11 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 120.925 0.18 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.027 0.237 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.458 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 113.346 0.099 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 120.536 -0.036 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 120.479 -0.067 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 120.483 -0.065 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.624 -0.19 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 113.478 0.151 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.938 -0.065 . . . . 0.0 112.938 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.447 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.61 -0.196 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.461 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 121.068 0.26 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.467 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.448 ' CE ' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 079 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 080 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.86 -20.91 0.37 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 50.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.757 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.44 29.87 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.34 48.75 47.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.723 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 20.6 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.906 0.384 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.64 -25.8 51.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.642 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.76 48.53 81.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.391 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.56 55.96 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -38.84 3.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.927 0.394 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.9 -27.99 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.677 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.43 54.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 72.3 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . 154.61 -15.19 0.54 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.113 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.44 48.85 1.26 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.897 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 3.9 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.64 -37.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.545 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' HA2' ' CE1' ' A' ' 1' ' ' TYR . . . 118.9 50.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.465 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.902 0.382 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . 153.47 -17.93 0.68 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.223 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 48.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.872 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.09 -20.06 0.49 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.239 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.69 48.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.746 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.936 0.398 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . 159.04 -18.45 0.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.218 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.24 47.45 1.0 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.3 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.46 -19.8 0.46 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.95 50.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.793 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.9 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.032 0.444 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.98 -35.62 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.609 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 124.1 52.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.401 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 39.9 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.917 0.389 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -148.57 -34.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.629 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 116.41 63.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.431 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.44 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 65.6 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -36.46 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.915 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 122.46 65.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 6.4 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.53 -36.94 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.633 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.81 52.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.381 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 11.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.993 0.425 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.65 -35.65 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.652 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.29 57.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.416 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.43 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.2 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.994 0.426 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.24 -21.92 0.25 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.407 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.34 48.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 9.9 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 161.04 42.35 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.96 59.02 8.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.6 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.496 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.3 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 162.94 38.59 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.148 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.91 64.09 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 1.7 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 142.67 -6.75 2.15 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.626 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.08 59.77 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.754 0.312 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.24 34.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.145 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.5 54.64 33.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 91.4 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.796 0.331 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 169.95 38.52 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.973 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.14 59.91 9.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.405 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.07 -20.74 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.424 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.68 50.6 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.679 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 70.7 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.77 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 167.93 35.13 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.793 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.55 52.08 47.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.817 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 43.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 161.61 43.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.798 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.81 60.95 7.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.393 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.422 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.909 0.385 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.79 29.33 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.885 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.99 52.29 47.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.674 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.445 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.8 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 1' ' ' TYR . . . -146.94 -36.38 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.93 -179.83 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 131.24 54.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.399 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 37.6 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 158.99 39.7 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.671 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.1 64.88 3.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.2 t80 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.99 0.424 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.54 -35.57 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.594 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 101.31 53.41 1.01 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 66.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 160.42 41.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.969 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.42 61.12 6.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.474 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.13 35.44 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.281 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.62 56.74 23.08 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.493 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.7 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.96 29.33 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.782 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 47.11 44.57 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.907 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.456 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.99 0.424 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.87 -36.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.717 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 125.6 49.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.353 -179.768 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 86.3 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -177.99 26.79 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.087 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.45 52.42 41.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.556 179.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 64.9 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 100.13 -7.24 58.54 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.993 -179.433 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.9 54.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.522 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 90.1 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.937 0.398 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.27 -32.49 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 134.08 48.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.81 -21.01 0.69 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.16 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.06 48.16 0.54 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.665 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.4 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.21 -35.58 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 134.74 53.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.777 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.436 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.437 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.34 -36.74 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.428 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 135.46 49.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 30.42 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.753 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.58 49.78 51.29 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.626 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.22 16.38 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.424 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.84 56.1 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.819 179.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 69.6 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.055 0.455 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -155.21 -31.37 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.811 -179.794 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.41 58.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.859 0.361 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.51 31.46 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.871 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.85 51.31 50.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.758 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.816 0.341 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.72 38.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.585 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.78 47.4 46.98 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.907 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.0 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.45 32.97 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.72 48.85 49.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.712 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.93 -27.3 44.15 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.16 52.95 49.49 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.56 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.57 -23.52 43.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.577 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.12 46.31 70.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.594 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.874 0.368 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.84 -24.64 34.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.56 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.21 47.96 83.73 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.559 -179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.458 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.481 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.68 -46.36 47.46 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.465 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.11 52.32 2.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.39 -26.2 43.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.36 51.28 59.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.918 0.389 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.482 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -55.23 -53.41 40.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.346 179.785 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.72 51.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.101 179.553 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.12 -28.42 4.2 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.897 -179.964 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.54 61.4 3.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.562 179.924 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' HA3' ' CE2' ' A' ' 4' ' ' PHE . . . -49.78 -44.68 39.67 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.633 179.915 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.98 65.32 2.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.755 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CE2' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 31.7 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.09 -46.71 42.13 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.543 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.013 179.534 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -48.1 -32.96 9.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.773 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.95 67.15 1.96 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.37 -29.66 60.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.56 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.17 52.8 50.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.29 -26.45 9.5 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.746 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.12 52.97 49.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.628 179.991 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.9 0.381 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.467 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -53.69 -52.23 43.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.438 179.895 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.72 54.04 1.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.074 179.773 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.757 0.313 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.5 -30.03 2.97 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.93 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.45 54.53 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.624 179.818 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.445 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 23.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.67 -29.27 2.87 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.858 179.99 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.15 52.34 52.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.566 179.891 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' TYR . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.862 0.363 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.32 -32.67 44.84 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.65 47.79 68.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.755 -179.979 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.88 -26.92 11.85 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.643 179.999 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 51.79 56.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -44.67 -43.26 7.91 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.541 179.919 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.22 53.52 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.478 179.181 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.757 0.313 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.59 -28.36 4.98 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.738 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.86 59.36 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.538 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.698 0.285 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.59 -28.86 63.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.946 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.98 53.28 47.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.33 -43.95 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.1 59.04 4.84 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.938 179.646 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.03 -29.25 8.43 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.776 179.997 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.29 52.32 52.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 179.871 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.765 0.317 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.85 -28.73 2.86 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.937 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.53 55.04 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.906 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.028 0.442 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.59 -47.5 5.36 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.917 -179.578 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.496 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 98.11 46.36 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 -179.63 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.854 0.359 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.499 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -47.94 -47.32 25.76 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.94 50.2 1.1 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.244 179.432 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.22 -23.76 41.76 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.17 50.45 67.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.447 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 32.9 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.17 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.582 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.7 46.8 81.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.606 -179.913 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.773 0.321 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.64 3.31 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.882 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.59 61.36 3.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.61 179.882 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.757 0.313 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.09 -33.38 51.26 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.661 -179.967 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.74 29.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.587 179.907 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.461 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.23 -27.88 8.01 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.697 179.88 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.67 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.467 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.04 -43.81 72.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.576 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.79 58.0 16.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.414 179.941 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.448 ' CE ' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.758 0.313 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.8 43.2 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.63 -179.975 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.74 51.36 58.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 t80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.85 87.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.579 -179.941 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.59 -48.63 85.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 6.6 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.002 0.429 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . -101.11 -53.73 1.0 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.85 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.878 0.37 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.8 44.07 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.72 -49.32 6.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.278 179.859 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 120.879 0.155 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.391 -0.283 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.897 -0.081 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.872 -0.091 . . . . 0.0 112.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.746 -0.142 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.453 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.749 -0.14 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.511 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.679 -0.168 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.538 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.393 -0.283 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 CA-C-O 120.762 0.09 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.294 -0.323 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 N-CA-C 112.665 -0.174 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 5' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.819 -0.112 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.758 -0.137 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 120.799 0.11 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 120.925 0.18 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.027 0.237 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 113.346 0.099 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 120.536 -0.036 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 120.479 -0.067 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 120.483 -0.065 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.624 -0.19 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 113.478 0.151 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.938 -0.065 . . . . 0.0 112.938 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.41 ' H ' ' HE2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.61 -0.196 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 121.068 0.26 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.492 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 079 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 080 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.86 -20.91 0.37 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 50.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.757 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.44 29.87 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.34 48.75 47.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.723 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 20.6 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.906 0.384 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.64 -25.8 51.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.642 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.76 48.53 81.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.391 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 5' ' ' MET . 15.7 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.56 55.96 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -38.84 3.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.412 ' HB2' ' CE2' ' A' ' 1' ' ' TYR . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.927 0.394 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.9 -27.99 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.677 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.43 54.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 72.3 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 154.61 -15.19 0.54 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.113 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.44 48.85 1.26 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.897 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 3.9 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.64 -37.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.545 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' HA2' ' CE1' ' A' ' 1' ' ' TYR . . . 118.9 50.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.465 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.902 0.382 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . 153.47 -17.93 0.68 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.223 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 48.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.872 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.09 -20.06 0.49 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.239 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.69 48.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.746 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.936 0.398 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.04 -18.45 0.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.218 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.24 47.45 1.0 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.3 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.46 -19.8 0.46 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.95 50.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.793 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.9 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.032 0.444 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.98 -35.62 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.609 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 124.1 52.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.401 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 39.9 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.917 0.389 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -148.57 -34.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.629 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 116.41 63.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.431 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 65.6 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -36.46 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.915 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 122.46 65.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 6.4 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.53 -36.94 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.633 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.81 52.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.381 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 11.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.993 0.425 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.65 -35.65 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.652 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.29 57.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.416 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.453 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.2 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.994 0.426 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.24 -21.92 0.25 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.407 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.34 48.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 9.9 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 161.04 42.35 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.96 59.02 8.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.6 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.511 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.3 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 162.94 38.59 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.148 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.91 64.09 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 1.7 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 142.67 -6.75 2.15 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.626 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.08 59.77 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.754 0.312 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.24 34.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.145 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.5 54.64 33.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 91.4 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.796 0.331 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 169.95 38.52 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.973 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.14 59.91 9.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.405 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.07 -20.74 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.424 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.68 50.6 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.679 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 70.7 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.77 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 167.93 35.13 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.793 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.55 52.08 47.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.817 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 43.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 161.61 43.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.798 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.81 60.95 7.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.393 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.909 0.385 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.79 29.33 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.885 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.99 52.29 47.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.674 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.8 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 1' ' ' TYR . . . -146.94 -36.38 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.93 -179.83 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 131.24 54.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.399 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 37.6 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 158.99 39.7 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.671 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.1 64.88 3.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.2 t80 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.99 0.424 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.54 -35.57 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.594 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 101.31 53.41 1.01 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 66.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 160.42 41.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.969 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.42 61.12 6.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.13 35.44 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.281 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.62 56.74 23.08 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.493 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.7 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.96 29.33 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.782 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 47.11 44.57 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.907 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.456 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.99 0.424 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.87 -36.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.717 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 125.6 49.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.353 -179.768 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 86.3 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -177.99 26.79 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.087 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.45 52.42 41.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.556 179.869 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 64.9 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 100.13 -7.24 58.54 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.993 -179.433 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.9 54.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.522 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 90.1 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.937 0.398 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.27 -32.49 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 134.08 48.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.81 -21.01 0.69 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.16 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.06 48.16 0.54 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.665 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.4 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.21 -35.58 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 134.74 53.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.777 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.437 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.34 -36.74 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 135.46 49.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 30.42 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.753 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.58 49.78 51.29 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.626 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 5' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.22 16.38 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.424 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.84 56.1 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.819 179.695 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 69.6 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.055 0.455 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -155.21 -31.37 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.811 -179.794 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.41 58.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.859 0.361 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.51 31.46 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.871 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.85 51.31 50.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.758 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.816 0.341 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.72 38.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.585 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.78 47.4 46.98 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.907 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.0 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.45 32.97 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.72 48.85 49.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.712 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.93 -27.3 44.15 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.16 52.95 49.49 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.56 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.57 -23.52 43.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.577 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.12 46.31 70.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.594 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.874 0.368 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.84 -24.64 34.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.56 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.21 47.96 83.73 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.559 -179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.68 -46.36 47.46 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.465 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.11 52.32 2.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.39 -26.2 43.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.36 51.28 59.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.918 0.389 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -55.23 -53.41 40.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.346 179.785 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.72 51.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.101 179.553 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.12 -28.42 4.2 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.897 -179.964 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.54 61.4 3.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.562 179.924 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 4' ' ' PHE . . . -49.78 -44.68 39.67 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.633 179.915 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.98 65.32 2.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.755 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 31.7 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.09 -46.71 42.13 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.543 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.013 179.534 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -48.1 -32.96 9.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.773 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.95 67.15 1.96 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.37 -29.66 60.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.56 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.17 52.8 50.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.29 -26.45 9.5 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.746 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.12 52.97 49.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.628 179.991 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.9 0.381 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.473 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -53.69 -52.23 43.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.438 179.895 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.72 54.04 1.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.074 179.773 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.757 0.313 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.5 -30.03 2.97 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.93 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.45 54.53 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.624 179.818 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 23.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.67 -29.27 2.87 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.858 179.99 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.15 52.34 52.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.566 179.891 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' TYR . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.862 0.363 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.32 -32.67 44.84 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.65 47.79 68.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.755 -179.979 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.88 -26.92 11.85 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.643 179.999 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 51.79 56.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -44.67 -43.26 7.91 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.541 179.919 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.22 53.52 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.478 179.181 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.757 0.313 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.59 -28.36 4.98 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.738 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.86 59.36 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.538 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.698 0.285 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.59 -28.86 63.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.946 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.98 53.28 47.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.33 -43.95 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.1 59.04 4.84 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.938 179.646 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.41 ' H ' ' HE2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.03 -29.25 8.43 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.776 179.997 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.29 52.32 52.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 179.871 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.765 0.317 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.85 -28.73 2.86 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.937 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.53 55.04 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.906 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.028 0.442 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.59 -47.5 5.36 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.917 -179.578 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 98.11 46.36 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 -179.63 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.854 0.359 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -47.94 -47.32 25.76 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.94 50.2 1.1 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.244 179.432 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.22 -23.76 41.76 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.17 50.45 67.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 32.9 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.17 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.582 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.7 46.8 81.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.606 -179.913 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.773 0.321 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.64 3.31 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.882 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.59 61.36 3.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.61 179.882 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.757 0.313 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.09 -33.38 51.26 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.661 -179.967 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.74 29.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.587 179.907 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.23 -27.88 8.01 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.697 179.88 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.67 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.492 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.04 -43.81 72.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.576 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.79 58.0 16.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.414 179.941 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HH ' ' HZ ' ' A' ' 4' ' ' PHE . 40.4 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.758 0.313 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.8 43.2 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.63 -179.975 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.74 51.36 58.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 t80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA2' ' HB2' ' A' ' 5' ' ' MET . . . 86.05 -0.85 87.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.579 -179.941 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.59 -48.63 85.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 6.6 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.002 0.429 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . -101.11 -53.73 1.0 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.85 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.878 0.37 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.8 44.07 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.72 -49.32 6.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.278 179.859 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.757 -0.137 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 120.879 0.155 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.391 -0.283 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.897 -0.081 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.872 -0.091 . . . . 0.0 112.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.746 -0.142 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.453 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.749 -0.14 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.511 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.632 -0.187 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.596 -0.201 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.679 -0.168 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.538 ' HE2' ' H ' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.393 -0.283 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.223 0 CA-C-O 120.762 0.09 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.294 -0.323 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.468 0 N-CA-C 112.665 -0.174 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 5' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.819 -0.112 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.758 -0.137 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 120.799 0.11 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 120.925 0.18 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.027 0.237 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 113.346 0.099 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 120.536 -0.036 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 120.479 -0.067 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 120.483 -0.065 . . . . 0.0 113.074 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.624 -0.19 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.755 -0.138 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 113.478 0.151 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.938 -0.065 . . . . 0.0 112.938 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.41 ' H ' ' HE2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.61 -0.196 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 121.068 0.26 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.492 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.86 -20.91 0.37 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.61 50.13 0.46 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.757 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -36.8 5.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.244 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.896 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.44 29.87 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.34 48.75 47.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.723 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 47.5 p90 -110.28 -43.76 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.967 0.413 . . . . 0.0 110.393 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 20.6 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.906 0.384 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.64 -25.8 51.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.642 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.76 48.53 81.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.391 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 17.8 p90 -109.57 -39.1 5.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.035 0.445 . . . . 0.0 110.632 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.475 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 11.5 mtp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 5' ' ' MET . 15.7 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.05 -43.56 55.96 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.9 -38.84 3.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.263 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.47 -24.6 13.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.475 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.412 ' HB2' ' CE2' ' A' ' 1' ' ' TYR . 14.9 mmt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.99 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.7 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.927 0.394 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.9 -27.99 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.677 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.43 54.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -31.81 8.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.045 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 72.3 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 154.61 -15.19 0.54 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.113 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.44 48.85 1.26 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.897 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.09 -37.76 5.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.224 179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.883 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 3.9 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.461 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.64 -37.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.545 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' HA2' ' CE1' ' A' ' 1' ' ' TYR . . . 118.9 50.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.465 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -25.48 13.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.4 mmm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.0 -179.654 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.902 0.382 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . 153.47 -17.93 0.68 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.223 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 48.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.872 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.15 -38.13 5.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.106 0.479 . . . . 0.0 110.309 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.864 0.364 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.09 -20.06 0.49 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.239 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.69 48.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.746 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -41.15 4.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.015 0.436 . . . . 0.0 110.196 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.054 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.936 0.398 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.04 -18.45 0.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.218 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.24 47.45 1.0 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -36.8 5.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.901 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.3 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.46 -19.8 0.46 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.95 50.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.793 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -110.18 -37.86 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.907 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.9 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.032 0.444 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.98 -35.62 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.609 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 124.1 52.12 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.401 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -36.51 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.437 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.966 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 39.9 t80 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.917 0.389 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -148.57 -34.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.629 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 116.41 63.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.431 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.12 -30.9 9.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 65.6 t80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -36.46 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.915 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 122.46 65.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -31.51 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 0.0 110.407 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.0 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 6.4 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.443 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -143.53 -36.94 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.633 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.81 52.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.381 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -110.37 -43.88 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.056 0.455 . . . . 0.0 110.367 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.25 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 11.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.993 0.425 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.65 -35.65 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.652 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 139.29 57.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.416 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 37.2 p90 -110.09 -42.56 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.453 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 2.2 mmt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.2 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.994 0.426 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.24 -21.92 0.25 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.407 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.34 48.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 36.3 p90 -110.21 -42.35 4.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.977 0.417 . . . . 0.0 110.531 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.087 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 9.9 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.473 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 161.04 42.35 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.96 59.02 8.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.6 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.9 p90 -110.35 -38.57 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.065 0.459 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.511 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.3 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 162.94 38.59 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.148 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.91 64.09 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 25.4 p90 -109.85 -39.72 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.474 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 21.8 mtp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 1.7 t80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 142.67 -6.75 2.15 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.626 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.08 59.77 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 26.6 p90 -110.1 -40.83 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.459 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 3.8 mtp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.754 0.312 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.24 34.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.145 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.5 54.64 33.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 31.5 p90 -110.2 -44.37 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.865 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 91.4 t80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.796 0.331 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 169.95 38.52 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.973 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.14 59.91 9.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.405 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.1 p90 -108.36 -40.36 5.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.512 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.07 -20.74 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.424 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.68 50.6 0.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.679 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 35.2 p90 -110.38 -42.79 4.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.153 0.501 . . . . 0.0 110.348 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mtp . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 70.7 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.77 0.319 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 167.93 35.13 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.793 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.55 52.08 47.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.817 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 18.5 p90 -110.28 -40.41 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.202 0.525 . . . . 0.0 110.51 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.489 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 43.5 t80 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 161.61 43.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.798 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.81 60.95 7.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.393 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 30.5 p90 -110.12 -42.87 4.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 110.556 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.446 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.909 0.385 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.79 29.33 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.885 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.99 52.29 47.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.674 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 5' ' ' MET . 39.9 p90 -110.12 -44.24 3.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.97 0.414 . . . . 0.0 110.56 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.475 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.8 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' N ' ' CD2' ' A' ' 1' ' ' TYR . . . -146.94 -36.38 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.93 -179.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 131.24 54.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.399 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.8 p90 -108.86 -40.8 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.113 0.482 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.445 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 37.6 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . 158.99 39.7 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.671 179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.1 64.88 3.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 14.0 p90 -106.91 -38.09 6.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 0.0 110.674 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 86.5 mmm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.815 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 43.2 t80 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.99 0.424 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -145.54 -35.57 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.594 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 101.31 53.41 1.01 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' MET . 53.1 p90 -110.14 -43.17 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.155 0.502 . . . . 0.0 110.543 179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.447 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.051 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.426 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 66.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 160.42 41.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.969 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.42 61.12 6.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 11.0 p90 -110.25 -40.51 4.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.017 0.436 . . . . 0.0 110.69 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.478 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 97.5 mmm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.13 35.44 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.281 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.62 56.74 23.08 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.493 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.0 p90 -110.19 -40.22 4.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 110.619 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 72.5 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.773 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.7 t80 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.96 29.33 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.782 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 47.11 44.57 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.907 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 32.5 p90 -110.45 -41.96 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 0.0 110.444 179.544 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.762 179.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.456 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.4 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.99 0.424 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.87 -36.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.717 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 125.6 49.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.353 -179.768 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 22.7 p90 -110.06 -39.25 5.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.461 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 6.7 mtp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 86.3 t80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -177.99 26.79 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.087 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.45 52.42 41.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.556 179.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 37.4 p90 -110.0 -40.97 4.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.121 0.486 . . . . 0.0 110.683 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.471 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.81 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 64.9 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . 100.13 -7.24 58.54 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.993 -179.433 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.9 54.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.522 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 15.3 p90 -110.26 -41.73 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.075 0.464 . . . . 0.0 110.424 179.702 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.487 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 36.9 mtp . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 90.1 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.937 0.398 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.27 -32.49 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 134.08 48.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 -179.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 32.8 p90 -109.97 -40.18 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.684 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.443 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.81 -21.01 0.69 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.16 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.06 48.16 0.54 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.665 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 27.9 p90 -109.4 -39.37 5.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.993 0.425 . . . . 0.0 110.461 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.855 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 56.4 t80 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.21 -35.58 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 134.74 53.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.777 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 28.9 p90 -108.15 -39.56 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 1.5 mtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.437 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -144.34 -36.74 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' HA2' ' CZ ' ' A' ' 1' ' ' TYR . . . 135.46 49.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 8.7 p90 -108.67 -37.45 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 54.8 mmm . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.2 t80 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.28 30.42 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.753 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.58 49.78 51.29 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.626 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 21.7 p90 -110.39 -41.35 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.126 0.489 . . . . 0.0 110.46 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 5' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.648 179.642 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.22 16.38 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.424 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.84 56.1 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.819 179.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 5' ' ' MET . 46.8 p90 -110.04 -42.48 4.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.433 ' CG ' ' N ' ' A' ' 2' ' ' GLY . 69.6 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.055 0.455 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 1' ' ' TYR . . . -155.21 -31.37 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.811 -179.794 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.41 58.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 -179.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 33.9 p90 -110.16 -40.37 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.011 0.434 . . . . 0.0 110.744 -179.879 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.982 -179.843 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.859 0.361 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.51 31.46 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.871 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.85 51.31 50.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.758 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 4.5 p90 -101.76 -35.66 8.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.11 0.481 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.452 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 9.5 mmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.816 0.341 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.72 38.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.585 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.78 47.4 46.98 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.907 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 14.6 p90 -110.52 -40.35 4.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.097 0.475 . . . . 0.0 110.535 179.55 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 18.6 mtp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.836 179.675 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.0 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.45 32.97 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 51.72 48.85 49.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.712 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 5' ' ' MET . 24.4 p90 -109.98 -40.3 4.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.965 0.412 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.474 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.93 -27.3 44.15 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.612 -179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.16 52.95 49.49 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.56 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.5 p90 -110.27 -43.85 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 110.361 179.851 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.451 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.285 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.57 -23.52 43.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.577 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.12 46.31 70.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.594 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 24.0 p90 -110.19 -39.7 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.874 0.368 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.84 -24.64 34.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.56 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.21 47.96 83.73 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.559 -179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 25.1 p90 -110.13 -40.29 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.024 0.44 . . . . 0.0 110.696 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.483 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 4.3 mmt . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.68 -46.36 47.46 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.465 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.11 52.32 2.25 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.17 -34.37 7.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.229 0.537 . . . . 0.0 109.889 179.043 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.902 -179.729 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -55.39 -26.2 43.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.36 51.28 59.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 5' ' ' MET . 52.8 p90 -110.2 -44.12 3.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.079 0.466 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.9 ptm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.918 0.389 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -55.23 -53.41 40.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.346 179.785 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.72 51.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.101 179.553 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.89 -46.89 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 109.895 179.155 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.12 -28.42 4.2 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.897 -179.964 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.54 61.4 3.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.562 179.924 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -110.36 -44.83 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 110.27 179.754 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.1 t80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 4' ' ' PHE . . . -49.78 -44.68 39.67 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.633 179.915 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.98 65.32 2.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.755 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.75 -37.08 6.51 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.764 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.461 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 31.7 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.09 -46.71 42.13 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.543 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.013 179.534 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -105.64 -34.2 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.064 0.459 . . . . 0.0 109.985 179.364 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.853 -179.696 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -48.1 -32.96 9.81 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.773 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.95 67.15 1.96 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -110.15 -43.27 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.017 0.437 . . . . 0.0 110.414 179.832 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.37 -29.66 60.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.56 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.17 52.8 50.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 5' ' ' MET . 28.0 p90 -109.28 -39.68 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 110.657 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.464 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.29 -26.45 9.5 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.746 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.12 52.97 49.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.628 179.991 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.5 p90 -110.22 -40.78 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.235 0.54 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.9 0.381 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.473 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -53.69 -52.23 43.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.438 179.895 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.72 54.04 1.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.074 179.773 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -106.24 -33.01 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.088 0.47 . . . . 0.0 110.115 179.413 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.014 -179.756 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.757 0.313 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.5 -30.03 2.97 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.93 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.45 54.53 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.624 179.818 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 22.3 p90 -110.3 -42.38 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.13 0.491 . . . . 0.0 110.368 179.634 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 4' ' ' PHE . 23.1 t80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.67 -29.27 2.87 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.858 179.99 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.15 52.34 52.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.566 179.891 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 1' ' ' TYR . 41.5 p90 -110.04 -39.79 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.638 179.958 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.467 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.862 0.363 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.32 -32.67 44.84 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.65 47.79 68.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.755 -179.979 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -110.55 -45.33 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.068 0.461 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.203 179.882 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -50.88 -26.92 11.85 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.643 179.999 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 51.79 56.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 29.5 p90 -108.36 -39.84 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 110.578 -179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.463 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -44.67 -43.26 7.91 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.541 179.919 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.22 53.52 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.478 179.181 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -104.65 -32.08 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 109.942 179.031 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.757 0.313 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -47.59 -28.36 4.98 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.738 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.86 59.36 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.538 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -110.38 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.104 0.478 . . . . 0.0 110.23 179.72 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 ptm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.263 179.976 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.698 0.285 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.59 -28.86 63.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.946 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.98 53.28 47.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 53.3 p90 -110.22 -43.78 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.013 0.435 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -50.33 -43.95 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.1 59.04 4.84 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.938 179.646 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -101.63 -27.47 13.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.263 179.595 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.41 ' H ' ' HE2' ' A' ' 5' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.827 -179.685 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.03 -29.25 8.43 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.776 179.997 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.29 52.32 52.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 179.871 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 5' ' ' MET . 19.9 p90 -110.41 -39.77 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 0.0 110.507 179.781 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.67 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.765 0.317 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.85 -28.73 2.86 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.937 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.53 55.04 4.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.906 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 5' ' ' MET . 20.2 p90 -110.28 -43.04 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.148 0.499 . . . . 0.0 110.369 179.704 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' HA2' ' A' ' 3' ' ' GLY . 22.0 t80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.028 0.442 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.59 -47.5 5.36 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.917 -179.578 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 1' ' ' TYR . . . 98.11 46.36 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 -179.63 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 5' ' ' MET . 14.1 p90 -110.32 -40.67 4.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.934 0.397 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.493 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 4.3 mtp . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.854 0.359 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 4' ' ' PHE . . . -47.94 -47.32 25.76 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.585 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.94 50.2 1.1 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.244 179.432 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -110.06 -39.42 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.112 0.482 . . . . 0.0 110.037 179.156 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 -179.62 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.22 -23.76 41.76 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.17 50.45 67.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 18.9 p90 -110.27 -39.5 4.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.536 179.79 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.471 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 9.3 mtp . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' CE2' ' CE1' ' A' ' 4' ' ' PHE . 32.9 t80 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.17 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.582 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.7 46.8 81.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.606 -179.913 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' CE1' ' CE2' ' A' ' 1' ' ' TYR . 36.9 p90 -110.2 -41.7 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.454 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.773 0.321 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.64 3.31 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.882 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.59 61.36 3.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.61 179.882 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 13.7 p90 -110.28 -41.01 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.529 179.725 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 37.4 mmm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.757 0.313 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.09 -33.38 51.26 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.661 -179.967 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.74 29.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.587 179.907 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 10.6 p90 -105.36 -36.52 7.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.468 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 77.9 mmm . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.23 -27.88 8.01 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.697 179.88 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.67 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 5' ' ' MET . 37.3 p90 -110.34 -40.65 4.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.097 0.475 . . . . 0.0 110.554 179.652 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.492 ' HG2' ' CE1' ' A' ' 4' ' ' PHE . 4.0 mmt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.04 -43.81 72.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.576 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.79 58.0 16.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.414 179.941 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 5' ' ' MET . 23.5 p90 -108.7 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 4' ' ' PHE . 4.3 ptp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.779 179.889 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HH ' ' HZ ' ' A' ' 4' ' ' PHE . 40.4 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.758 0.313 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.86 -29.8 43.2 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.63 -179.975 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.74 51.36 58.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' A' ' 5' ' ' MET . 16.8 p90 -110.02 -38.69 5.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.701 179.929 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' A' ' 4' ' ' PHE . 83.7 mmm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.763 179.962 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.6 t80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA2' ' HB2' ' A' ' 5' ' ' MET . . . 86.05 -0.85 87.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.579 -179.941 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.59 -48.63 85.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 5' ' ' MET . 2.0 p90 -94.87 -33.26 12.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.514 0.673 . . . . 0.0 109.631 179.499 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 2' ' ' GLY . 6.6 t80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.002 0.429 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' ' CD1' ' A' ' 1' ' ' TYR . . . -101.11 -53.73 1.0 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.85 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -25.24 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.971 0.415 . . . . 0.0 110.341 179.861 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.706 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.7 t80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.878 0.37 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.8 44.07 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.72 -49.32 6.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.278 179.859 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE1' ' CG ' ' A' ' 5' ' ' MET . 2.1 p90 -95.86 -32.76 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.524 0.678 . . . . 0.0 109.52 179.461 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.442 ' CG ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 stop_ save_