data_2mzk_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 2mzk _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.128 0.489 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.665 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.9 p90 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.312 0.577 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.0 ptp180 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.176 0.512 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 33.8 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.282 0.563 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.9 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.288 0.566 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ASN . 10.3 ptt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 16' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.175 0.512 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 . . . . . 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.22 0.533 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.3 ptm180 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.994 0.426 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 . . . . . 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.546 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 5.8 tm-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.726 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' ALA . 14.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.245 0.545 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.411 ' H1 ' ' H ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.411 ' H ' ' H1 ' ' A' ' 1' ' ' GLY . 12.3 pt-20 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.288 0.566 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.288 0.566 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.1 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.4 ptp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.258 0.552 . . . . 0.0 109.778 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.743 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.871 0.367 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 17' ' ' ALA . 5.3 ptm180 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.247 0.546 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.736 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.877 0.37 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.0 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.512 ' O ' ' CA ' ' A' ' 9' ' ' ALA . 37.9 mt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.74 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.4 ptp180 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.293 0.568 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.237 0.541 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.7 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.268 0.556 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' A' ' 18' ' ' ASN . 4.1 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.285 0.564 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.327 0.584 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.126 0.488 . . . . 0.0 109.938 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.108 0.48 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -112.5 -13.17 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.473 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.473 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.18 -30.83 66.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.42 -39.05 29.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? -91.78 -46.02 8.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 0.0 109.306 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 34.87 56.01 0.74 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.666 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.9 p90 -94.81 -46.69 6.78 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.854 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.697 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 16.0 ptp180 -74.35 -55.37 6.08 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.697 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.59 -23.77 65.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.822 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -145.22 9.25 1.24 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.469 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -113.6 25.04 11.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 33.8 mt -57.73 -32.71 67.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.9 9.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -87.49 -5.13 58.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.008 -1.058 . . . . 0.0 109.704 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -126.24 56.42 1.44 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.908 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.9 p90 -99.55 -47.61 5.05 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.706 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.7 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 10.3 ptt85 -72.23 -54.83 8.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.7 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 16' ' ' LEU . 2.6 mm? -64.9 -38.5 91.17 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.739 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 -145.45 8.21 1.17 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.457 -1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 -95.44 18.66 12.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.465 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.465 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt -74.93 -31.01 61.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.8 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.19 22.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -106.19 -54.46 2.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 109.756 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.643 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 60.19 45.77 11.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.922 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.922 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.01 -39.84 9.55 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.015 -177.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 6.3 ptm180 -72.14 -54.94 8.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.706 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.48 -16.85 59.56 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.394 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -142.11 8.24 1.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.684 -1.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.546 ' C ' ' OE1' ' A' ' 2' ' ' GLU . 5.8 tm-20 -94.02 -37.8 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.512 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt -81.19 -53.22 6.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.128 -0.982 . . . . 0.0 110.245 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.2 -12.84 9.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt -84.97 -54.42 4.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.132 -0.98 . . . . 0.0 109.631 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 45.56 51.36 9.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.918 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.2 OUTLIER -97.75 -39.34 9.09 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.897 -177.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.703 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 14.6 ptp180 -81.02 -54.56 5.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.703 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -65.85 -31.2 72.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.704 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -145.5 8.12 1.16 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.654 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.498 -1.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' H1 ' ' H ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' H ' ' H1 ' ' A' ' 1' ' ' GLY . 12.3 pt-20 -92.26 4.39 53.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.508 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt -69.69 -55.86 8.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.98 . . . . 0.0 109.891 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.69 80.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? -94.65 23.85 5.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.733 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.64 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -128.54 53.02 1.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.65 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.1 p90 -96.85 -45.71 6.52 Favored 'General case' 0 C--N 1.286 -2.17 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.805 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.685 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 16.4 ptp180 -76.04 -53.74 7.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.685 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.67 -33.1 75.16 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.778 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.23 7.89 1.04 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.91 5.38 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.565 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.37 -45.43 22.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.964 . . . . 0.0 109.761 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -23.25 65.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -103.95 31.53 4.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.422 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -135.9 48.36 2.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.919 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.652 OE22 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.919 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -99.47 -39.66 8.24 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.772 -177.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.703 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 5.3 ptm180 -78.49 -55.01 5.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.703 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.62 -36.64 69.68 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.417 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.67 7.34 1.27 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.694 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.497 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -74.88 -2.8 28.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.733 ' C ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.575 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 50.9 mt -54.02 -34.37 59.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.45 -51.8 5.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -105.81 28.2 7.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 109.641 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 176.69 47.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.92 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.643 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -97.65 -39.34 9.13 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.958 -177.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.695 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 4.0 ptm180 -80.76 -55.1 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.695 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.22 -28.52 68.07 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.51 9.07 1.19 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.666 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.445 0 O-C-N 120.588 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -49.77 -11.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.722 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.565 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 37.9 mt -58.64 -33.95 70.65 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.63 -53.09 5.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? -103.92 -51.03 3.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.276 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 40.47 48.89 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.924 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.924 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.4 OUTLIER -101.69 -40.2 7.09 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.365 -177.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.675 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 16.4 ptp180 -80.32 -55.66 4.75 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.681 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -51.68 -33.0 32.09 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.538 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -146.55 9.19 1.04 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.476 -1.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.96 13.8 13.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.493 OE12 OE11 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt -76.93 -35.81 57.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.242 -0.912 . . . . 0.0 109.893 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.98 -26.1 53.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.493 OE11 OE12 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt -96.96 -37.5 10.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.703 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 44.27 51.53 7.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.916 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.648 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.916 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.7 p90 -98.88 -45.48 5.97 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.88 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.694 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 4.1 ptm180 -86.64 -55.08 4.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.694 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.0 -28.66 57.88 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.884 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -146.71 10.64 1.07 Allowed 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.61 -0.7 10.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.472 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt -70.95 -30.64 66.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.142 -0.973 . . . . 0.0 109.679 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.88 -21.61 26.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.472 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.37 -3.16 32.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.938 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -167.67 48.67 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.904 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.771 ' N ' ' CD1' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.904 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.66 -40.9 8.77 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.061 -177.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.671 ' CG ' ' N ' ' A' ' 15' ' ' CGU . 11.2 ptm180 -81.1 -52.77 7.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.671 ' N ' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.0 tp -68.52 -31.08 70.07 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.923 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.0 7.42 1.2 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.606 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.128 0.489 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.665 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.9 p90 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.312 0.577 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.0 ptp180 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.176 0.512 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 33.8 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.282 0.563 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.9 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.288 0.566 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ASN . 10.3 ptt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.6 mm? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.175 0.512 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 . . . . . 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.22 0.533 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.3 ptm180 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.994 0.426 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 . . . . . 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.546 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 5.8 tm-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.726 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' ALA . 14.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.245 0.545 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 23.1 t-20 . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.288 0.566 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.288 0.566 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.1 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.4 ptp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.258 0.552 . . . . 0.0 109.778 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.743 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.871 0.367 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 17' ' ' ALA . 5.3 ptm180 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 5' ' ' LEU . 86.2 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 2' ' ' GLU . 50.9 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.1 mptm? . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.247 0.546 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.736 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.877 0.37 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.0 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 46.4 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.512 ' O ' ' CA ' ' A' ' 9' ' ' ALA . 37.9 mt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.74 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.293 0.568 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.237 0.541 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.7 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.268 0.556 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' A' ' 18' ' ' ASN . 4.1 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 12' ' ' PHE . 9.0 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.285 0.564 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.327 0.584 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.126 0.488 . . . . 0.0 109.938 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LEU . 25.0 tp . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.108 0.48 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -112.5 -13.17 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.473 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.473 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.18 -30.83 66.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.42 -39.05 29.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? -91.78 -46.02 8.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 0.0 109.306 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 34.87 56.01 0.74 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.666 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.9 p90 -94.81 -46.69 6.78 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.854 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.032 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.0 ptp180 -74.35 -55.37 6.08 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.032 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.59 -23.77 65.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.822 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.22 9.25 1.24 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.469 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -113.6 25.04 11.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 33.8 mt -57.73 -32.71 67.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.9 9.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.403 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -87.49 -5.13 58.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.008 -1.058 . . . . 0.0 109.704 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -126.24 56.42 1.44 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.908 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.9 p90 -99.55 -47.61 5.05 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.706 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.996 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 10.3 ptt85 -72.23 -54.83 8.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.996 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.6 mm? -64.9 -38.5 91.17 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.739 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 -145.45 8.21 1.17 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.457 -1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 -95.44 18.66 12.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.465 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.465 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt -74.93 -31.01 61.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.8 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.19 22.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -106.19 -54.46 2.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 109.756 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.643 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 60.19 45.77 11.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.922 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.922 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.01 -39.84 9.55 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.015 -177.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.028 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 6.3 ptm180 -72.14 -54.94 8.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.028 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.48 -16.85 59.56 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.394 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -142.11 8.24 1.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.684 -1.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.546 ' C ' ' OE1' ' A' ' 2' ' ' GLU . 5.8 tm-20 -94.02 -37.8 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.512 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt -81.19 -53.22 6.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.128 -0.982 . . . . 0.0 110.245 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.2 -12.84 9.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt -84.97 -54.42 4.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.132 -0.98 . . . . 0.0 109.631 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 45.56 51.36 9.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.918 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.2 OUTLIER -97.75 -39.34 9.09 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.897 -177.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.024 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 14.6 ptp180 -81.02 -54.56 5.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.024 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -65.85 -31.2 72.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.704 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 23.1 t-20 -145.5 8.12 1.16 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.654 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.498 -1.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.26 4.39 53.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.508 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt -69.69 -55.86 8.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.98 . . . . 0.0 109.891 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.69 80.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? -94.65 23.85 5.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.733 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.64 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -128.54 53.02 1.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.65 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.1 p90 -96.85 -45.71 6.52 Favored 'General case' 0 C--N 1.286 -2.17 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.805 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.987 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.4 ptp180 -76.04 -53.74 7.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.987 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.67 -33.1 75.16 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.778 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.23 7.89 1.04 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.91 5.38 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.37 -45.43 22.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.964 . . . . 0.0 109.761 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -23.25 65.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -103.95 31.53 4.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.422 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -135.9 48.36 2.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.919 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.652 OE22 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.919 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -99.47 -39.66 8.24 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.772 -177.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.035 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 5.3 ptm180 -78.49 -55.01 5.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.035 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.62 -36.64 69.68 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.417 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -144.67 7.34 1.27 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.694 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.497 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 5' ' ' LEU . 86.2 tt0 -74.88 -2.8 28.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.733 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.709 HD23 OE21 ' A' ' 4' ' ' CGU . 50.9 mt -54.02 -34.37 59.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.45 -51.8 5.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.1 mptm? -105.81 28.2 7.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 109.641 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 176.69 47.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.92 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.643 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -97.65 -39.34 9.13 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.958 -177.389 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.029 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 4.0 ptm180 -80.76 -55.1 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.029 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 46.4 tp -60.22 -28.52 68.07 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -145.51 9.07 1.19 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.666 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.445 0 O-C-N 120.588 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -49.77 -11.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.722 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 37.9 mt -58.64 -33.95 70.65 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.63 -53.09 5.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? -103.92 -51.03 3.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.276 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 40.47 48.89 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.924 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.924 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.4 OUTLIER -101.69 -40.2 7.09 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.365 -177.674 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.025 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.4 ptp180 -80.32 -55.66 4.75 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.025 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -51.68 -33.0 32.09 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.538 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.55 9.19 1.04 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.476 -1.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.96 13.8 13.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.493 OE12 OE11 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt -76.93 -35.81 57.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.242 -0.912 . . . . 0.0 109.893 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.98 -26.1 53.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.493 OE11 OE12 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt -96.96 -37.5 10.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.703 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 44.27 51.53 7.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.916 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.648 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.916 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.7 p90 -98.88 -45.48 5.97 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.88 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.048 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 4.1 ptm180 -86.64 -55.08 4.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.048 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 12' ' ' PHE . 9.0 mp -76.0 -28.66 57.88 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.884 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -146.71 10.64 1.07 Allowed 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.61 -0.7 10.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt -70.95 -30.64 66.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.142 -0.973 . . . . 0.0 109.679 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.88 -21.61 26.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.37 -3.16 32.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.938 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -167.67 48.67 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.904 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.771 ' N ' ' CD1' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.904 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.66 -40.9 8.77 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.061 -177.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.019 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 11.2 ptm180 -81.1 -52.77 7.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 1.019 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LEU . 25.0 tp -68.52 -31.08 70.07 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.923 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -145.0 7.42 1.2 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.606 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.128 0.489 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.665 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.9 p90 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 121.312 0.577 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.0 ptp180 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.176 0.512 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 33.8 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.282 0.563 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.9 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.288 0.566 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ASN . 10.3 ptt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.6 mm? . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.175 0.512 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 . . . . . 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.22 0.533 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.3 ptm180 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.994 0.426 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 . . . . . 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.546 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 5.8 tm-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.726 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' ALA . 14.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.245 0.545 . . . . 0.0 109.704 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.288 0.566 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.288 0.566 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 5.1 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 17' ' ' ALA . 16.4 ptp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.258 0.552 . . . . 0.0 109.778 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.743 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.871 0.367 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 17' ' ' ALA . 5.3 ptm180 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 5' ' ' LEU . 86.2 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 2' ' ' GLU . 50.9 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.1 mptm? . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.247 0.546 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.736 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.877 0.37 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.0 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 46.4 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.512 ' O ' ' CA ' ' A' ' 9' ' ' ALA . 37.9 mt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' ' O ' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.74 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.293 0.568 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.237 0.541 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CG ' ' N ' ' A' ' 13' ' ' ALA . 3.7 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.268 0.556 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' A' ' 18' ' ' ASN . 4.1 ptm180 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 12' ' ' PHE . 9.0 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.285 0.564 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.327 0.584 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.126 0.488 . . . . 0.0 109.938 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.731 ' CD1' ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LEU . 25.0 tp . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.108 0.48 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -112.5 -13.17 13.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.337 -1.096 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.473 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.473 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.18 -30.83 66.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.42 -39.05 29.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 0.0 109.821 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mptm? -91.78 -46.02 8.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 0.0 109.306 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 34.87 56.01 0.74 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.879 . . . . 0.0 110.219 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.666 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.9 p90 -94.81 -46.69 6.78 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.854 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.665 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -60.02 -41.74 92.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.468 -0.77 . . . . 0.0 109.87 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.032 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.0 ptp180 -74.35 -55.37 6.08 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.0 109.799 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.032 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.59 -23.77 65.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.822 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.13 6.79 31.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.084 -1.01 . . . . 0.0 109.794 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -145.22 9.25 1.24 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.469 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -113.6 25.04 11.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -1.149 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 33.8 mt -57.73 -32.71 67.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.2 -45.9 9.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.403 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -87.49 -5.13 58.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.008 -1.058 . . . . 0.0 109.704 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.632 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -126.24 56.42 1.44 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.082 -1.011 . . . . 0.0 110.148 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.908 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.908 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.9 p90 -99.55 -47.61 5.05 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.706 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -73.63 -36.65 65.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.996 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 10.3 ptt85 -72.23 -54.83 8.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.948 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.996 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.6 mm? -64.9 -38.5 91.17 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.739 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.6 6.2 27.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.952 . . . . 0.0 109.557 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 14' ' ' ARG . 9.9 t30 -145.45 8.21 1.17 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.457 -1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 9.3 mp0 -95.44 18.66 12.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.225 -1.162 . . . . 0.0 109.553 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.465 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.465 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 9' ' ' ALA . 17.8 mt -74.93 -31.01 61.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.8 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.19 22.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -106.19 -54.46 2.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 109.756 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.643 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 60.19 45.77 11.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.275 -0.89 . . . . 0.0 109.687 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.922 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.644 OE22 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.922 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.01 -39.84 9.55 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.015 -177.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.734 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.45 -38.56 62.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.806 -1.184 . . . . 0.0 109.521 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.028 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 6.3 ptm180 -72.14 -54.94 8.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.094 -1.004 . . . . 0.0 109.387 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.028 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.48 -16.85 59.56 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.394 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -98.45 -3.55 36.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.921 -1.112 . . . . 0.0 110.137 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -142.11 8.24 1.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.684 -1.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.546 ' C ' ' OE1' ' A' ' 2' ' ' GLU . 5.8 tm-20 -94.02 -37.8 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.512 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt -81.19 -53.22 6.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.128 -0.982 . . . . 0.0 110.245 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.2 -12.84 9.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.161 -0.962 . . . . 0.0 110.183 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.0 mmmt -84.97 -54.42 4.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.132 -0.98 . . . . 0.0 109.631 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 45.56 51.36 9.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 109.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.918 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.918 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.2 OUTLIER -97.75 -39.34 9.09 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.897 -177.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.726 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.11 -31.02 55.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.884 -1.135 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.024 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 14.6 ptp180 -81.02 -54.56 5.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.024 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -65.85 -31.2 72.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.704 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -106.14 7.03 31.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.912 . . . . 0.0 109.568 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -145.5 8.12 1.16 Allowed 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.654 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.498 -1.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.26 4.39 53.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -1.225 . . . . 0.0 109.542 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.508 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.8 mt -69.69 -55.86 8.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.131 -0.98 . . . . 0.0 109.891 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.69 80.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 109.874 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 4.7 mptp? -94.65 23.85 5.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.073 -1.017 . . . . 0.0 109.733 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.64 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -128.54 53.02 1.87 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -0.887 . . . . 0.0 109.493 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.91 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.65 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.91 ' N ' ' O ' ' A' ' 10' ' ' HYP . 5.1 p90 -96.85 -45.71 6.52 Favored 'General case' 0 C--N 1.286 -2.17 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.805 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -69.73 -37.19 76.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 0.0 109.784 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.987 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.4 ptp180 -76.04 -53.74 7.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.057 -1.027 . . . . 0.0 109.475 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.987 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.67 -33.1 75.16 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.778 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.3 11.04 29.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.365 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.23 7.89 1.04 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.414 -1.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.91 5.38 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.278 -1.131 . . . . 0.0 109.686 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.37 -45.43 22.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.964 . . . . 0.0 109.761 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -23.25 65.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -0.909 . . . . 0.0 109.873 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -103.95 31.53 4.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.422 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -135.9 48.36 2.2 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.811 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.919 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.652 OE22 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.919 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -99.47 -39.66 8.24 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.772 -177.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.743 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -77.93 -31.79 51.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.848 -1.157 . . . . 0.0 109.184 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.035 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 5.3 ptm180 -78.49 -55.01 5.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.035 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.62 -36.64 69.68 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.417 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -99.98 9.96 42.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 109.766 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.67 7.34 1.27 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.694 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.497 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 5' ' ' LEU . 86.2 tt0 -74.88 -2.8 28.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -1.141 . . . . 0.0 109.566 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.733 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.709 HD23 OE21 ' A' ' 4' ' ' CGU . 50.9 mt -54.02 -34.37 59.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.45 -51.8 5.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.391 -0.818 . . . . 0.0 109.588 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.1 mptm? -105.81 28.2 7.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 109.641 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 176.69 47.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.236 -0.915 . . . . 0.0 109.731 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.92 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.643 OE21 ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -97.65 -39.34 9.13 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.958 -177.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.736 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -74.08 -31.69 62.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.861 -1.15 . . . . 0.0 109.397 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.029 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 4.0 ptm180 -80.76 -55.1 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.176 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.029 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 16' ' ' LEU . 46.4 tp -60.22 -28.52 68.07 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -103.97 4.94 35.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.066 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.51 9.07 1.19 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.666 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.445 0 O-C-N 120.588 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -49.77 -11.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -1.154 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.722 ' CD2' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 ' N ' ' HG ' ' A' ' 4' ' ' CGU . 37.9 mt -58.64 -33.95 70.65 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.63 -53.09 5.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 109.296 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 1.6 mptm? -103.92 -51.03 3.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.276 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 40.47 48.89 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 110.164 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.924 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.642 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.924 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.4 OUTLIER -101.69 -40.2 7.09 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.365 -177.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.74 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -73.81 -31.57 63.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.927 -1.108 . . . . 0.0 108.89 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.025 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 16.4 ptp180 -80.32 -55.66 4.75 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.281 -0.887 . . . . 0.0 109.066 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.025 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -51.68 -33.0 32.09 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.538 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.61 10.6 29.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.774 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -146.55 9.19 1.04 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.681 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.476 -1.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.96 13.8 13.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -1.14 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.493 OE12 OE11 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt -76.93 -35.81 57.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.242 -0.912 . . . . 0.0 109.893 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.98 -26.1 53.52 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.047 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.493 OE11 OE12 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 14.3 mptt -96.96 -37.5 10.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.703 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.649 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . 44.27 51.53 7.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.916 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.648 OE21 ' CD1' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.916 ' N ' ' O ' ' A' ' 10' ' ' HYP . 3.7 p90 -98.88 -45.48 5.97 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.88 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' ' CG ' ' A' ' 12' ' ' PHE . . . -71.15 -25.96 62.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.0 109.799 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.048 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 4.1 ptm180 -86.64 -55.08 4.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.038 . . . . 0.0 109.572 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.048 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 12' ' ' PHE . 9.0 mp -76.0 -28.66 57.88 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.884 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -107.27 4.81 26.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.134 -0.979 . . . . 0.0 109.559 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.666 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -146.71 10.64 1.07 Allowed 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.6 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.61 -0.7 10.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 0.0 109.168 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' O ' ' N ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 21.1 mt -70.95 -30.64 66.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.142 -0.973 . . . . 0.0 109.679 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.88 -21.61 26.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.803 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CD ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.37 -3.16 32.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.0 109.938 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 10' ' ' HYP . . . -167.67 48.67 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.984 -1.072 . . . . 0.0 110.064 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.904 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.771 ' N ' ' CD1' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.904 ' N ' ' O ' ' A' ' 10' ' ' HYP . 0.3 OUTLIER -96.66 -40.9 8.77 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.061 -177.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.731 ' N ' ' CD1' ' A' ' 12' ' ' PHE . . . -54.33 -38.04 65.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.784 -1.198 . . . . 0.0 109.402 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.019 ' CG ' ' HN2' ' A' ' 15' ' ' CGU . 11.2 ptm180 -81.1 -52.77 7.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 1.019 ' HN2' ' CG ' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LEU . 25.0 tp -68.52 -31.08 70.07 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.923 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.77 4.59 49.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 0.0 109.979 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.0 7.42 1.2 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.606 ' N ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_