data_1aft_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 1aft _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 ' 2' ' ' THR . . . . . 0.556 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.531 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.443 0.639 . . . . 0.0 112.656 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.595 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.522 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 3' ' ' LEU . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG1' ' A' ' 2' ' ' THR . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.579 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 122.265 1.031 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.254 0.549 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.631 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -126.44 -91.57 0.52 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 124.727 1.267 . . . . 0.0 108.702 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.556 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p -116.61 59.06 0.75 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.328 1.018 . . . . 0.0 113.453 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -127.05 -94.91 0.45 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.682 1.239 . . . . 0.0 107.795 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p -114.48 62.17 0.67 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -126.77 -94.78 0.45 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 124.724 1.265 . . . . 0.0 107.811 . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p -114.68 62.16 0.67 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.485 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.6 -92.98 0.5 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 124.711 1.257 . . . . 0.0 108.409 . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.531 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p -115.66 60.5 0.71 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 124.328 1.017 . . . . 0.0 113.561 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.496 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.74 -91.25 0.53 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 124.686 1.241 . . . . 0.0 108.899 . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p -115.48 59.52 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.398 1.061 . . . . 0.0 113.292 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -128.39 -95.4 0.42 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p -117.52 67.65 0.75 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 124.131 0.894 . . . . 0.0 112.656 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.595 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.7 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.84 -91.03 0.53 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.82 1.325 . . . . 0.0 108.797 . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -116.41 59.26 0.74 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 124.203 0.939 . . . . 0.0 113.464 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.61 -93.61 0.49 Allowed 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.758 1.286 . . . . 0.0 108.31 . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p -115.99 61.38 0.71 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 124.302 1.001 . . . . 0.0 113.456 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.509 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -126.96 -94.84 0.45 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 124.682 1.239 . . . . 0.0 107.846 . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -115.02 62.47 0.68 Allowed 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -126.48 -94.71 0.46 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 124.683 1.24 . . . . 0.0 108.141 . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p -115.73 63.08 0.69 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 124.275 0.984 . . . . 0.0 113.223 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.488 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.496 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 124.869 1.356 . . . . 0.0 110.838 . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p -117.77 52.45 0.99 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.199 0.937 . . . . 0.0 113.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.479 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.17 -91.22 0.54 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 124.696 1.247 . . . . 0.0 109.029 . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p -115.98 58.31 0.74 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.336 1.022 . . . . 0.0 113.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -126.57 -93.4 0.48 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 124.712 1.257 . . . . 0.0 108.584 . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.522 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p -117.19 60.44 0.75 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.53 -85.02 0.63 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 124.678 1.236 . . . . 0.0 110.845 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p -118.05 51.77 1.05 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 124.157 0.911 . . . . 0.0 113.188 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.496 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.08 -93.32 0.49 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 124.738 1.274 . . . . 0.0 108.489 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p -115.41 61.01 0.7 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 124.362 1.039 . . . . 0.0 113.43 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.496 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.85 -94.62 0.47 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 124.765 1.291 . . . . 0.0 107.998 . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p -114.97 61.69 0.68 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -126.67 -95.01 0.45 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 124.723 1.264 . . . . 0.0 107.905 . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -114.48 62.13 0.67 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.496 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -126.39 -94.32 0.46 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 124.745 1.278 . . . . 0.0 108.278 . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.546 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p -115.89 62.49 0.7 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 124.289 0.993 . . . . 0.0 113.256 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.55 ' CD1' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -127.0 -88.84 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.722 1.264 . . . . 0.0 111.28 . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p -111.52 59.2 0.62 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.55 HD23 ' CD1' ' A' ' 1' ' ' PHE . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' HG1' ' A' ' 2' ' ' THR . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.4 OUTLIER -125.35 -85.16 0.63 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 124.744 1.277 . . . . 0.0 111.063 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -117.21 51.81 1.0 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 124.326 1.016 . . . . 0.0 113.042 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -125.71 -88.41 0.59 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 124.967 1.417 . . . . 0.0 109.054 . . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -114.45 62.42 0.67 Allowed 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -124.94 -84.58 0.64 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.113 1.508 . . . . 0.0 109.923 . . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.579 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -116.1 60.89 0.72 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 124.36 1.038 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -126.88 -94.84 0.45 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 124.737 1.273 . . . . 0.0 107.904 . . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p -114.4 62.07 0.67 Allowed 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.7 -85.22 0.63 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 124.795 1.309 . . . . 0.0 111.122 . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.535 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p -116.92 51.81 0.98 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 124.348 1.03 . . . . 0.0 113.067 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.498 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -151.87 -89.03 0.06 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.412 1.695 . . . . 0.0 109.696 . . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p -118.87 87.65 2.77 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.751 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.631 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.507 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -126.23 -93.63 0.48 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 124.765 1.29 . . . . 0.0 108.414 . . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p -115.93 61.6 0.71 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 124.287 0.992 . . . . 0.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.443 0.639 . . . . 0.0 112.656 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.584 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 3' ' ' LEU . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.492 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.544 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 122.265 1.031 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.254 0.549 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.673 ' HB1' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.51 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.44 -91.57 0.52 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 124.727 1.267 . . . . 0.0 108.702 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p -116.61 59.06 0.75 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.328 1.018 . . . . 0.0 113.453 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.53 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -127.05 -94.91 0.45 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.682 1.239 . . . . 0.0 107.795 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p -114.48 62.17 0.67 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.524 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.77 -94.78 0.45 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 124.724 1.265 . . . . 0.0 107.811 . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p -114.68 62.16 0.67 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.6 -92.98 0.5 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 124.711 1.257 . . . . 0.0 108.409 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p -115.66 60.5 0.71 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 124.328 1.017 . . . . 0.0 113.561 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.519 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.74 -91.25 0.53 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 124.686 1.241 . . . . 0.0 108.899 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p -115.48 59.52 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.398 1.061 . . . . 0.0 113.292 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -128.39 -95.4 0.42 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p -117.52 67.65 0.75 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 124.131 0.894 . . . . 0.0 112.656 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.7 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.84 -91.03 0.53 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.82 1.325 . . . . 0.0 108.797 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -116.41 59.26 0.74 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 124.203 0.939 . . . . 0.0 113.464 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.61 -93.61 0.49 Allowed 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.758 1.286 . . . . 0.0 108.31 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p -115.99 61.38 0.71 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 124.302 1.001 . . . . 0.0 113.456 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.522 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.96 -94.84 0.45 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 124.682 1.239 . . . . 0.0 107.846 . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -115.02 62.47 0.68 Allowed 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.48 -94.71 0.46 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 124.683 1.24 . . . . 0.0 108.141 . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p -115.73 63.08 0.69 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 124.275 0.984 . . . . 0.0 113.223 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.514 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 124.869 1.356 . . . . 0.0 110.838 . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p -117.77 52.45 0.99 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.199 0.937 . . . . 0.0 113.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.514 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.17 -91.22 0.54 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 124.696 1.247 . . . . 0.0 109.029 . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p -115.98 58.31 0.74 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.336 1.022 . . . . 0.0 113.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.57 -93.4 0.48 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 124.712 1.257 . . . . 0.0 108.584 . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p -117.19 60.44 0.75 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.584 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.515 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.53 -85.02 0.63 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 124.678 1.236 . . . . 0.0 110.845 . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p -118.05 51.77 1.05 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 124.157 0.911 . . . . 0.0 113.188 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.08 -93.32 0.49 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 124.738 1.274 . . . . 0.0 108.489 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p -115.41 61.01 0.7 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 124.362 1.039 . . . . 0.0 113.43 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.85 -94.62 0.47 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 124.765 1.291 . . . . 0.0 107.998 . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p -114.97 61.69 0.68 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.67 -95.01 0.45 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 124.723 1.264 . . . . 0.0 107.905 . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -114.48 62.13 0.67 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.39 -94.32 0.46 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 124.745 1.278 . . . . 0.0 108.278 . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p -115.89 62.49 0.7 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 124.289 0.993 . . . . 0.0 113.256 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.6 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -127.0 -88.84 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.722 1.264 . . . . 0.0 111.28 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p -111.52 59.2 0.62 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD21 ' CD1' ' A' ' 1' ' ' PHE . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.528 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.35 -85.16 0.63 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 124.744 1.277 . . . . 0.0 111.063 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -117.21 51.81 1.0 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 124.326 1.016 . . . . 0.0 113.042 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -125.71 -88.41 0.59 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 124.967 1.417 . . . . 0.0 109.054 . . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.544 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -114.45 62.42 0.67 Allowed 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.529 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -124.94 -84.58 0.64 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.113 1.508 . . . . 0.0 109.923 . . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -116.1 60.89 0.72 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 124.36 1.038 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 1' ' ' PHE . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.529 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.88 -94.84 0.45 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 124.737 1.273 . . . . 0.0 107.904 . . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p -114.4 62.07 0.67 Allowed 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.7 -85.22 0.63 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 124.795 1.309 . . . . 0.0 111.122 . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p -116.92 51.81 0.98 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 124.348 1.03 . . . . 0.0 113.067 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.512 ' N ' ' HD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -151.87 -89.03 0.06 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.412 1.695 . . . . 0.0 109.696 . . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p -118.87 87.65 2.77 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.751 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.673 ' HB1' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.536 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.23 -93.63 0.48 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 124.765 1.29 . . . . 0.0 108.414 . . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p -115.93 61.6 0.71 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 124.287 0.992 . . . . 0.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.443 0.639 . . . . 0.0 112.656 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.584 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 3' ' ' LEU . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.492 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.544 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 122.265 1.031 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.254 0.549 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.673 ' HB1' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.51 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.44 -91.57 0.52 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 124.727 1.267 . . . . 0.0 108.702 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 46.1 p -116.61 59.06 0.75 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 124.328 1.018 . . . . 0.0 113.453 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.52 44.73 1.19 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 6.4 m-20 -128.01 -49.43 1.34 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 111.031 -2.804 . . . . 0.0 104.927 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.38 -50.58 4.26 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 112.869 -1.969 . . . . 0.0 108.759 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.3 t70 122.49 -54.74 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 127.443 2.964 . . . . 0.0 103.102 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.908 0 CA-C-N 108.872 -3.785 . . . . 0.0 108.525 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.53 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -127.05 -94.91 0.45 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.682 1.239 . . . . 0.0 107.795 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.508 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.9 p -114.48 62.17 0.67 Allowed 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.37 0.87 Allowed 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.43 -45.03 1.36 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 112.289 -2.232 . . . . 0.0 105.615 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.62 -53.09 3.68 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t70 122.1 -31.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 127.653 3.096 . . . . 0.0 104.967 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.8 p90 . . . . . 0 C--N 1.305 -1.352 0 CA-C-O 115.85 -2.024 . . . . 0.0 111.702 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.524 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.77 -94.78 0.45 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 124.724 1.265 . . . . 0.0 107.811 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASP . 47.2 p -114.68 62.16 0.67 Allowed 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.6 40.11 0.91 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -127.99 -45.34 1.42 Allowed 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 112.294 -2.23 . . . . 0.0 105.68 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.84 -53.03 3.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 113.835 -1.529 . . . . 0.0 109.361 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 123.64 -31.68 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 127.637 3.085 . . . . 0.0 105.23 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.335 0 CA-C-N 113.069 -1.878 . . . . 0.0 113.077 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.6 -92.98 0.5 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 124.711 1.257 . . . . 0.0 108.409 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.1 p -115.66 60.5 0.71 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 124.328 1.017 . . . . 0.0 113.561 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.94 42.25 1.08 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -131.07 -44.05 1.05 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 110.805 -2.907 . . . . 0.0 107.161 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.51 -53.07 2.86 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.146 -1.388 . . . . 0.0 109.299 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 123.86 -34.08 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 O-C-N 127.78 3.175 . . . . 0.0 104.906 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 C--N 1.305 -1.355 0 CA-C-N 112.806 -1.997 . . . . 0.0 113.208 -179.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.519 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.74 -91.25 0.53 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 124.686 1.241 . . . . 0.0 108.899 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.4 p -115.48 59.52 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.398 1.061 . . . . 0.0 113.292 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.47 42.36 1.1 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.73 -43.87 1.1 Allowed 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 110.696 -2.956 . . . . 0.0 106.865 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -99.75 -52.03 3.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.123 -1.399 . . . . 0.0 108.318 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 122.81 -33.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 127.809 3.193 . . . . 0.0 104.791 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.9 p90 . . . . . 0 C--N 1.306 -1.308 0 CA-C-N 112.677 -2.056 . . . . 0.0 112.111 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -128.39 -95.4 0.42 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 67.3 p -117.52 67.65 0.75 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 124.131 0.894 . . . . 0.0 112.656 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.583 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -83.24 40.19 0.7 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.707 1.241 . . . . 0.0 108.312 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.7 p-10 -130.03 -46.06 1.13 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 112.188 -2.278 . . . . 0.0 105.381 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -111.68 -60.91 1.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.269 -1.332 . . . . 0.0 111.522 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 33.0 t70 106.69 37.92 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.65 0 O-C-N 127.04 2.712 . . . . 0.0 106.534 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.9 m-30 . . . . . 0 N--CA 1.497 1.917 0 CA-C-N 114.153 -1.385 . . . . 0.0 112.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.7 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.84 -91.03 0.53 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.82 1.325 . . . . 0.0 108.797 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -116.41 59.26 0.74 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 124.203 0.939 . . . . 0.0 113.464 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -91.49 43.31 1.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.5 m-20 -126.44 -49.32 1.54 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 111.144 -2.753 . . . . 0.0 104.499 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 7' ' ' PHE . . . -98.22 -53.13 3.45 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.8 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 7.9 t70 122.76 -31.88 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 O-C-N 127.505 3.003 . . . . 0.0 104.167 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.302 -1.499 0 CA-C-N 111.77 -2.468 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.61 -93.61 0.49 Allowed 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.758 1.286 . . . . 0.0 108.31 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 4' ' ' ASP . 61.3 p -115.99 61.38 0.71 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 124.302 1.001 . . . . 0.0 113.456 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.56 42.09 1.07 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -130.89 -43.7 1.08 Allowed 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 110.797 -2.91 . . . . 0.0 107.21 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.03 -53.71 2.77 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.155 -1.384 . . . . 0.0 109.202 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.3 t70 124.05 -32.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 127.602 3.064 . . . . 0.0 105.309 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.979 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.522 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.96 -94.84 0.45 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 124.682 1.239 . . . . 0.0 107.846 . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -115.02 62.47 0.68 Allowed 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.35 40.0 0.9 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -128.37 -45.3 1.37 Allowed 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 112.256 -2.247 . . . . 0.0 105.759 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.41 -53.03 3.33 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.479 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 122.8 -31.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 127.584 3.053 . . . . 0.0 105.308 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.486 1.327 0 CA-C-N 113.018 -1.901 . . . . 0.0 112.904 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.48 -94.71 0.46 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 124.683 1.24 . . . . 0.0 108.141 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.8 p -115.73 63.08 0.69 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 124.275 0.984 . . . . 0.0 113.223 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -88.39 43.18 1.11 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.38 -44.84 1.11 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 110.769 -2.923 . . . . 0.0 106.445 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.02 -55.8 2.32 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.666 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.4 t70 117.48 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 127.426 2.954 . . . . 0.0 104.502 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 112.226 -2.261 . . . . 0.0 109.209 -179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.514 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 124.869 1.356 . . . . 0.0 110.838 . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.2 p -117.77 52.45 0.99 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.199 0.937 . . . . 0.0 113.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.514 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.86 40.17 1.07 Allowed 'General case' 0 N--CA 1.503 2.221 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 2' ' ' THR . 4.2 m-20 -129.4 -49.43 1.18 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 111.438 -2.619 . . . . 0.0 105.709 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -104.99 -55.81 2.27 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 112.571 -2.104 . . . . 0.0 113.248 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.3 t0 124.58 -33.3 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.349 2.906 . . . . 0.0 103.864 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.4 p90 . . . . . 0 C--N 1.306 -1.313 0 CA-C-N 112.958 -1.928 . . . . 0.0 112.685 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.17 -91.22 0.54 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 124.696 1.247 . . . . 0.0 109.029 . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.7 p -115.98 58.31 0.74 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.336 1.022 . . . . 0.0 113.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.7 mm? -90.23 41.64 1.06 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.65 -44.21 0.99 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.838 -2.892 . . . . 0.0 107.473 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.15 -54.53 2.46 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.6 t0 121.13 -33.33 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 127.543 3.027 . . . . 0.0 104.552 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.5 p90 . . . . . 0 N--CA 1.486 1.368 0 CA-C-N 112.793 -2.003 . . . . 0.0 113.081 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.527 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.57 -93.4 0.48 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 124.712 1.257 . . . . 0.0 108.584 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 59.8 p -117.19 60.44 0.75 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.584 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? -83.11 43.78 0.89 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.723 1.249 . . . . 0.0 107.966 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.0 p-10 -133.71 -44.8 0.81 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 112.222 -2.263 . . . . 0.0 107.263 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -111.85 -48.58 3.05 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 41.86 34.11 0.4 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 125.378 1.674 . . . . 0.0 112.45 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.495 1.799 0 CA-C-N 110.981 -2.827 . . . . 0.0 116.236 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.515 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.53 -85.02 0.63 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 124.678 1.236 . . . . 0.0 110.845 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.2 p -118.05 51.77 1.05 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 124.157 0.911 . . . . 0.0 113.188 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.2 mm? -93.9 38.15 1.08 Allowed 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.1 m-20 -128.55 -49.41 1.27 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 111.697 -2.501 . . . . 0.0 105.4 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.91 -57.14 2.1 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.344 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.9 t0 122.64 -32.84 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 O-C-N 127.358 2.911 . . . . 0.0 103.826 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 4.8 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 112.821 -1.991 . . . . 0.0 112.187 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.08 -93.32 0.49 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 124.738 1.274 . . . . 0.0 108.489 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 4' ' ' ASP . 50.6 p -115.41 61.01 0.7 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 124.362 1.039 . . . . 0.0 113.43 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -90.06 41.58 1.05 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.28 -43.44 1.04 Allowed 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 110.829 -2.896 . . . . 0.0 107.269 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -101.17 -53.09 3.11 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 114.051 -1.432 . . . . 0.0 109.066 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 122.8 -33.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 127.757 3.16 . . . . 0.0 104.603 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.329 0 CA-C-O 115.748 -2.072 . . . . 0.0 111.904 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.526 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.85 -94.62 0.47 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 124.765 1.291 . . . . 0.0 107.998 . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' ASP . 51.7 p -114.97 61.69 0.68 Allowed 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.81 39.84 0.91 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.75 -45.33 1.31 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 112.19 -2.277 . . . . 0.0 105.723 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.61 -52.5 3.59 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.484 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t70 121.66 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 127.786 3.179 . . . . 0.0 104.92 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 113.014 -1.903 . . . . 0.0 113.186 -179.716 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.67 -95.01 0.45 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 124.723 1.264 . . . . 0.0 107.905 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 4' ' ' ASP . 45.1 p -114.48 62.13 0.67 Allowed 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -86.92 35.37 0.69 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 2' ' ' THR . 29.7 p-10 -126.83 -38.0 2.08 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 112.315 -2.221 . . . . 0.0 107.632 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.2 -52.52 3.01 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 114.689 -1.142 . . . . 0.0 108.451 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 122.08 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.027 0 O-C-N 127.801 3.188 . . . . 0.0 105.062 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.3 p90 . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 112.671 -2.058 . . . . 0.0 111.741 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -126.39 -94.32 0.46 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 124.745 1.278 . . . . 0.0 108.278 . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.1 p -115.89 62.49 0.7 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 124.289 0.993 . . . . 0.0 113.256 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.32 42.61 1.1 Allowed 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.55 -43.89 1.01 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 110.672 -2.967 . . . . 0.0 107.312 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -105.21 -55.2 2.36 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.009 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 7.8 t70 120.55 -32.38 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.435 0 O-C-N 127.354 2.909 . . . . 0.0 104.834 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 2.1 p90 . . . . . 0 C--N 1.3 -1.553 0 CA-C-N 111.514 -2.585 . . . . 0.0 113.643 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.6 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -127.0 -88.84 0.56 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.722 1.264 . . . . 0.0 111.28 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' ASP . 33.7 p -111.52 59.2 0.62 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 122.565 1.174 . . . . 0.0 110.517 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD21 ' CD1' ' A' ' 1' ' ' PHE . 6.2 mt -86.46 37.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 113.026 -1.897 . . . . 0.0 107.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' THR . 11.2 p-10 -132.99 -52.15 0.9 Allowed 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 112.293 -2.23 . . . . 0.0 107.506 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 7' ' ' PHE . . . -127.05 -74.03 0.6 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.0 t70 116.72 -24.99 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 127.12 2.763 . . . . 0.0 105.563 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 6.0 p90 . . . . . 0 N--CA 1.486 1.357 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.733 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.528 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.35 -85.16 0.63 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 124.744 1.277 . . . . 0.0 111.063 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -117.21 51.81 1.0 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 124.326 1.016 . . . . 0.0 113.042 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.3 mm? -93.55 36.22 1.09 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -131.65 -43.83 1.0 Allowed 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.307 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 6' ' ' ASP . . . -105.99 -55.53 2.31 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 113.844 -1.526 . . . . 0.0 111.527 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 10.0 t70 120.56 -33.54 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 127.624 3.078 . . . . 0.0 104.499 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 112.831 -1.986 . . . . 0.0 112.926 -179.798 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -125.71 -88.41 0.59 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 124.967 1.417 . . . . 0.0 109.054 . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.544 ' C ' ' H ' ' A' ' 4' ' ' ASP . 49.8 p -114.45 62.42 0.67 Allowed 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.403 1.097 . . . . 0.0 112.01 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.5 mp -85.14 37.34 0.67 Allowed 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 114.209 -1.36 . . . . 0.0 107.817 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.8 p-10 -129.5 -44.71 1.22 Allowed 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 112.009 -2.359 . . . . 0.0 106.294 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -98.94 -54.51 2.97 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.481 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 7' ' ' PHE . 29.4 t70 120.01 -28.93 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 127.332 2.895 . . . . 0.0 105.449 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.3 -1.55 0 CA-C-N 111.847 -2.433 . . . . 0.0 113.776 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.529 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -124.94 -84.58 0.64 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.113 1.508 . . . . 0.0 109.923 . . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.565 ' C ' ' H ' ' A' ' 4' ' ' ASP . 60.5 p -116.1 60.89 0.72 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 124.36 1.038 . . . . 0.0 111.207 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 1' ' ' PHE . 3.5 mp -87.11 39.46 0.86 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -131.08 -43.54 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.825 -2.898 . . . . 0.0 107.41 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.99 -54.73 2.65 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.658 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 t70 124.92 -32.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 127.577 3.048 . . . . 0.0 105.312 -179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.306 -1.318 0 CA-C-N 112.891 -1.959 . . . . 0.0 112.87 -179.698 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.529 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.88 -94.84 0.45 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 124.737 1.273 . . . . 0.0 107.904 . . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' ASP . 44.5 p -114.4 62.07 0.67 Allowed 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -87.47 39.38 0.87 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 10.9 p-10 -128.45 -44.95 1.36 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 112.24 -2.255 . . . . 0.0 105.631 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -96.83 -53.05 3.66 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 113.731 -1.577 . . . . 0.0 109.256 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 122.06 -31.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 127.687 3.117 . . . . 0.0 105.003 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 3.7 p90 . . . . . 0 C--N 1.306 -1.295 0 CA-C-O 115.854 -2.022 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -125.7 -85.22 0.63 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 124.795 1.309 . . . . 0.0 111.122 . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.539 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.4 p -116.92 51.81 0.98 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 124.348 1.03 . . . . 0.0 113.067 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD2' ' H ' ' A' ' 1' ' ' PHE . 2.4 mm? -93.16 37.3 1.04 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.6 OUTLIER -132.25 -44.05 0.94 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 111.336 -2.666 . . . . 0.0 108.272 -179.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -106.25 -56.86 2.13 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.56 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 122.62 -32.57 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 127.545 3.028 . . . . 0.0 104.82 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 6.7 p90 . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.787 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.512 ' N ' ' HD1' ' A' ' 1' ' ' PHE . 0.0 OUTLIER -151.87 -89.03 0.06 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.412 1.695 . . . . 0.0 109.696 . . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' ASP . 70.7 p -118.87 87.65 2.77 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.751 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -92.9 46.31 1.22 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' THR . 2.1 p30 -132.91 -45.28 0.86 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 109.846 -3.343 . . . . 0.0 106.438 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.673 ' HB1' ' CD2' ' A' ' 7' ' ' PHE . . . -110.05 -56.27 2.35 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.458 -1.246 . . . . 0.0 107.691 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 95.66 31.54 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 126.937 2.648 . . . . 0.0 106.74 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 4.2 m-30 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 113.0 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.536 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -126.23 -93.63 0.48 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 124.765 1.29 . . . . 0.0 108.414 . . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 4' ' ' ASP . 56.9 p -115.93 61.6 0.71 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 124.287 0.992 . . . . 0.0 113.419 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -89.25 42.39 1.09 Allowed 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.3 OUTLIER -130.97 -43.93 1.06 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.131 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 7' ' ' PHE . . . -103.77 -54.25 2.61 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.144 -1.389 . . . . 0.0 109.374 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 123.89 -32.07 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.051 0 O-C-N 127.64 3.088 . . . . 0.0 105.254 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 5.8 p90 . . . . . 0 C--N 1.304 -1.371 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.939 -179.701 . . . . . . . . 1 1 . 1 stop_ save_