data_1i93_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 1i93 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 121.197 0.522 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.463 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 16.1 p80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 120.997 0.427 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.53 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 3' ' ' HIS . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.53 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' HIS . 22.3 p-80 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.405 0.622 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.143 0.497 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.467 0.651 . . . . 0.0 110.794 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.14 0.495 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.405 0.621 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.53 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 15.6 p80 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.365 0.603 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 26.4 p80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 121.131 0.491 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.47 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 21.3 p80 . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.126 0.489 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.141 0.496 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 8' ' ' ASP . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' CB ' HD12 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.603 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.219 0.533 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.434 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.426 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.32 40.23 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.414 -0.804 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 -131.89 70.84 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.307 -0.871 . . . . 0.0 110.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t 55.55 82.56 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.677 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.02 63.79 2.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -120.93 167.55 12.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.327 -0.858 . . . . 0.0 110.396 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p -140.58 135.14 31.49 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.778 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t 56.84 79.72 0.18 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.343 -0.848 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.463 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 16.1 p80 -116.43 163.65 15.72 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.53 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 3' ' ' HIS . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.53 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.12 40.03 30.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' ACE . 31.8 p 32.85 62.8 0.34 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.761 -0.587 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' HIS . 22.3 p-80 -69.51 132.15 45.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.244 -0.91 . . . . 0.0 109.699 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.89 -50.47 8.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.449 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.214 -0.799 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 98.0 m 59.56 129.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 121.526 0.679 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.16 -159.24 0.59 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.335 -0.853 . . . . 0.0 110.094 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 124.24 36.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 t -81.55 141.07 34.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -89.1 172.88 8.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.314 -0.866 . . . . 0.0 110.794 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.84 44.27 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.6 p -157.4 59.91 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.302 -0.874 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 -93.31 50.13 1.47 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -132.04 -171.19 2.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.798 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t 53.31 24.48 3.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.468 -0.77 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -131.28 39.32 3.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 109.454 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.53 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -85.98 159.21 19.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.8 p -143.4 55.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -80.07 170.38 16.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.05 -29.33 23.51 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.09 84.61 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.83 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 15.6 p80 -131.36 -176.61 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.193 -0.942 . . . . 0.0 110.76 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p -86.79 52.57 2.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.38 115.99 22.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 26.4 p80 -95.61 115.03 26.85 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.455 -0.778 . . . . 0.0 111.249 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p -142.43 136.75 29.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m 51.78 49.07 21.57 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.355 -0.84 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.47 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 21.3 p80 -89.63 137.97 31.87 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.584 -0.698 . . . . 0.0 109.934 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -139.72 154.22 47.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.7 p -158.8 27.37 0.22 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -0.827 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 -131.29 51.18 2.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.306 -0.871 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 8' ' ' ASP . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' CB ' HD12 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.0 161.04 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.0 m -82.9 139.63 33.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.261 -0.899 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 -110.24 -156.78 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.603 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -98.42 177.25 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.215 -0.729 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER 59.88 149.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -83.69 -165.22 1.06 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.088 -1.007 . . . . 0.0 110.169 -178.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -89.65 -32.66 16.97 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.257 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 121.197 0.522 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 5' ' ' LEU . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 120.997 0.427 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' HG3' ' A' ' 10' ' ' ARG . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 5' ' ' LEU . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.405 0.622 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.473 ' CE3' ' C ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.143 0.497 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.467 0.651 . . . . 0.0 110.794 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 9' ' ' MET . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.898 ' HA ' HD23 ' A' ' 5' ' ' LEU . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.675 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.14 0.495 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.405 0.621 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.623 ' O ' HD23 ' A' ' 5' ' ' LEU . 51.6 p-80 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.365 0.603 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.613 ' O ' ' CG ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.56 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.584 ' HB2' HD23 ' A' ' 5' ' ' LEU . 26.4 p80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 121.131 0.491 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 3' ' ' HIS . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 5' ' ' LEU . 21.3 p80 . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.126 0.489 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 3' ' ' HIS . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.141 0.496 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' CG ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 10' ' ' ARG . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.779 ' HA ' HD13 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.605 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.219 0.533 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.32 40.23 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.414 -0.804 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 -131.89 70.84 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.307 -0.871 . . . . 0.0 110.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t 55.55 82.56 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.677 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.02 63.79 2.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -120.93 167.55 12.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.327 -0.858 . . . . 0.0 110.396 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 5' ' ' LEU . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p -140.58 135.14 31.49 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.778 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t 56.84 79.72 0.18 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.343 -0.848 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -116.43 163.65 15.72 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' HG3' ' A' ' 10' ' ' ARG . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 5' ' ' LEU . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.12 40.03 30.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' ACE . 31.8 p 32.85 62.8 0.34 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.761 -0.587 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 22.3 p-80 -69.51 132.15 45.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.244 -0.91 . . . . 0.0 109.699 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.473 ' CE3' ' C ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.89 -50.47 8.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.446 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.214 -0.799 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 98.0 m 59.56 129.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 121.526 0.679 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 -159.24 0.59 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.335 -0.853 . . . . 0.0 110.094 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 124.24 36.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 t -81.55 141.07 34.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -89.1 172.88 8.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.314 -0.866 . . . . 0.0 110.794 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 9' ' ' MET . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.898 ' HA ' HD23 ' A' ' 5' ' ' LEU . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.675 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.84 44.27 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.6 p -157.4 59.91 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.302 -0.874 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 -93.31 50.13 1.47 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -132.04 -171.19 2.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.798 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t 53.31 24.48 3.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.468 -0.77 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -131.28 39.32 3.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 109.454 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -85.98 159.21 19.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.8 p -143.4 55.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -80.07 170.38 16.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.05 -29.33 23.51 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.09 84.61 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.83 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.623 ' O ' HD23 ' A' ' 5' ' ' LEU . 51.6 p-80 -131.36 -176.61 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.193 -0.942 . . . . 0.0 110.76 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.613 ' O ' ' CG ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.56 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p -86.79 52.57 2.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.38 115.99 22.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.584 ' HB2' HD23 ' A' ' 5' ' ' LEU . 26.4 p80 -95.61 115.03 26.85 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.455 -0.778 . . . . 0.0 111.249 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 3' ' ' HIS . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p -142.43 136.75 29.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m 51.78 49.07 21.57 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.355 -0.84 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 5' ' ' LEU . 21.3 p80 -89.63 137.97 31.87 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.584 -0.698 . . . . 0.0 109.934 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 3' ' ' HIS . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -139.72 154.22 47.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.7 p -158.8 27.37 0.22 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -0.827 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 -131.29 51.18 2.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.306 -0.871 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' CG ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 10' ' ' ARG . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.779 ' HA ' HD13 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.0 161.04 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.0 m -82.9 139.63 33.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.261 -0.899 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 -110.24 -156.78 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.605 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -98.42 177.25 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.215 -0.729 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER 59.88 149.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -83.69 -165.22 1.06 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.088 -1.007 . . . . 0.0 110.169 -178.066 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -89.65 -32.66 16.97 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.257 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.076 0.465 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 121.197 0.522 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 5' ' ' LEU . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.469 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 16.1 p80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 120.997 0.427 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' HG3' ' A' ' 10' ' ' ARG . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 5' ' ' LEU . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' HIS . 22.3 p-80 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.405 0.622 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.473 ' C ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.143 0.497 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 121.467 0.651 . . . . 0.0 110.794 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 9' ' ' MET . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.898 ' HA ' HD23 ' A' ' 5' ' ' LEU . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.675 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.14 0.495 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.405 0.621 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.623 ' O ' HD23 ' A' ' 5' ' ' LEU . 15.6 p80 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.365 0.603 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.56 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.584 ' HB2' HD23 ' A' ' 5' ' ' LEU . 26.4 p80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 121.131 0.491 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 3' ' ' HIS . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 5' ' ' LEU . 21.3 p80 . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.126 0.489 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 3' ' ' HIS . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.141 0.496 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 10' ' ' ARG . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.779 ' HA ' HD13 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.605 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.219 0.533 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.32 40.23 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.414 -0.804 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 13.7 p80 -131.89 70.84 1.46 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.307 -0.871 . . . . 0.0 110.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -122.89 51.83 1.39 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.328 -0.857 . . . . 0.0 109.821 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 8' ' ' ASP . 73.9 mt -119.76 52.87 1.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.517 -0.739 . . . . 0.0 110.526 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 50.99 23.84 1.63 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.309 -0.869 . . . . 0.0 111.465 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.53 25.74 38.11 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 5' ' ' LEU . 3.7 m-20 -85.37 -149.96 0.13 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.314 -1.11 . . . . 0.0 109.754 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.4 mtp -75.49 84.27 2.57 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.361 -0.837 . . . . 0.0 110.035 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 3' ' ' HIS . 17.7 ptt-85 -86.73 53.36 2.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.318 0.58 . . . . 0.0 110.366 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -78.18 -55.29 5.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.499 -0.751 . . . . 0.0 109.799 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t 55.55 82.56 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.677 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.02 63.79 2.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.36 -0.837 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -120.93 167.55 12.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.327 -0.858 . . . . 0.0 110.396 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -112.88 86.1 2.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.452 -0.78 . . . . 0.0 111.251 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 5' ' ' LEU . 28.4 mt -115.44 109.77 18.34 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.055 -1.028 . . . . 0.0 111.557 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.04 23.15 1.41 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 112.866 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.33 41.33 91.47 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 119.463 -1.351 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -90.45 -151.61 0.25 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.388 -1.066 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.6 mmm -80.23 82.64 6.24 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.635 -0.666 . . . . 0.0 110.46 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -86.79 40.91 0.93 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.48 -0.763 . . . . 0.0 112.184 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.46 139.64 30.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.142 -0.973 . . . . 0.0 110.542 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 p -140.58 135.14 31.49 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.097 -1.002 . . . . 0.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.778 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.4 t 56.84 79.72 0.18 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.343 -0.848 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 16.1 p80 -116.43 163.65 15.72 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.6 t-105 -84.46 118.96 24.61 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.131 -0.981 . . . . 0.0 110.696 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD12 ' HG3' ' A' ' 10' ' ' ARG . 12.3 mt -95.06 78.82 3.56 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.474 -0.766 . . . . 0.0 111.511 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.35 27.31 0.13 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.424 -0.798 . . . . 0.0 112.213 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 103.03 24.44 8.02 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.623 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 1.1 t70 -86.34 -177.74 6.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.045 -1.268 . . . . 0.0 109.925 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 ptp -87.84 40.71 0.95 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.173 -0.954 . . . . 0.0 111.547 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 5' ' ' LEU . 2.3 mmt180 -99.83 40.19 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.042 -1.036 . . . . 0.0 110.492 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -87.29 38.66 0.83 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.517 -0.739 . . . . 0.0 110.657 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.12 40.03 30.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.183 -0.948 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' ACE . 31.8 p 32.85 62.8 0.34 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.761 -0.587 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' HIS . 22.3 p-80 -69.51 132.15 45.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.244 -0.91 . . . . 0.0 109.699 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.473 ' C ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.24 43.43 1.15 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.71 -0.619 . . . . 0.0 112.556 -178.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 42.7 mt -83.67 147.44 27.68 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.436 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.66 23.44 3.64 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.459 -0.775 . . . . 0.0 110.827 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.77 95.08 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -81.04 -164.0 0.68 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.287 -1.125 . . . . 0.0 110.384 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 41.5 mmm -64.44 88.81 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.768 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.5 49.25 1.71 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.425 0.631 . . . . 0.0 110.598 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -87.93 71.3 9.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.389 -0.82 . . . . 0.0 110.095 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.89 -50.47 8.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.221 -0.924 . . . . 0.0 110.248 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.757 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.446 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.214 -0.799 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 98.0 m 59.56 129.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 121.526 0.679 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.16 -159.24 0.59 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.335 -0.853 . . . . 0.0 110.094 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -81.03 133.42 35.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.4 -0.812 . . . . 0.0 110.852 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -99.01 -2.24 37.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.48 -0.763 . . . . 0.0 111.425 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.67 20.7 1.62 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.972 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.84 75.39 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -148.88 0.43 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.399 -1.059 . . . . 0.0 111.301 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 88.61 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.69 0.757 . . . . 0.0 109.657 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -84.05 55.71 3.41 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.582 0.706 . . . . 0.0 109.715 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.46 80.37 1.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.629 -0.67 . . . . 0.0 109.754 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 124.24 36.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.524 -0.735 . . . . 0.0 110.325 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 t -81.55 141.07 34.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -89.1 172.88 8.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.314 -0.866 . . . . 0.0 110.794 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -82.28 -177.72 6.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.378 -0.826 . . . . 0.0 110.135 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.898 HD23 ' HA ' ' A' ' 9' ' ' MET . 4.7 mp -74.81 -54.62 6.98 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.561 -0.712 . . . . 0.0 109.616 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.288 0.566 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.27 -55.17 0.77 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 1.6 m-20 -87.14 -177.98 6.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.436 -1.037 . . . . 0.0 110.463 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.898 ' HA ' HD23 ' A' ' 5' ' ' LEU . 25.5 ptm -100.12 48.62 0.92 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.392 -0.817 . . . . 0.0 110.503 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' NE2' ' A' ' 3' ' ' HIS . 16.3 mmt180 -91.6 60.46 4.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.164 -0.96 . . . . 0.0 110.747 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.675 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -75.54 81.01 2.56 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.236 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.84 44.27 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.598 -0.689 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.6 p -157.4 59.91 0.5 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.302 -0.874 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 31.4 p80 -93.31 50.13 1.47 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -124.44 79.97 1.8 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.533 -0.729 . . . . 0.0 109.994 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.65 -97.27 0.46 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.456 -0.777 . . . . 0.0 110.502 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.39 23.57 1.82 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.073 -1.017 . . . . 0.0 111.042 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.64 -36.86 1.5 Allowed Glycine 0 N--CA 1.493 2.436 0 C-N-CA 118.952 -1.594 . . . . 0.0 111.626 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.44 -151.23 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.946 -1.326 . . . . 0.0 110.45 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.73 0.8 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.788 0.804 . . . . 0.0 110.008 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -86.58 54.6 3.22 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.236 0.541 . . . . 0.0 110.056 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -79.16 -28.78 42.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.358 -0.838 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -132.04 -171.19 2.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.805 . . . . 0.0 109.936 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.419 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.798 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t 53.31 24.48 3.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.468 -0.77 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -131.28 39.32 3.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 109.454 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HE3' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -91.26 45.37 1.24 Allowed 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 119.316 -0.954 . . . . 0.0 112.193 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 4' ' ' TRP . 1.1 mt -100.03 42.76 1.09 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.335 -0.853 . . . . 0.0 110.421 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 53.4 22.61 2.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.144 -0.972 . . . . 0.0 110.721 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 34.82 10.15 Favored Glycine 0 N--CA 1.496 2.647 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.366 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -152.93 0.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.057 -1.261 . . . . 0.0 111.319 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 73.5 mtm -69.01 91.92 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.804 0.811 . . . . 0.0 109.073 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -86.07 48.8 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.81 -0.556 . . . . 0.0 111.068 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -81.99 104.52 12.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.485 -0.759 . . . . 0.0 109.817 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -85.98 159.21 19.68 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.266 -0.896 . . . . 0.0 110.095 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.8 p -143.4 55.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.46 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 25.8 p80 -80.07 170.38 16.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 5.3 t-105 -109.01 -176.05 2.93 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.508 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.96 148.39 26.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.251 -0.906 . . . . 0.0 109.996 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 53.86 22.68 3.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.564 -0.71 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.42 38.52 57.79 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -156.1 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.148 -1.207 . . . . 0.0 109.879 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.5 mtm -69.54 89.12 0.51 Allowed 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.606 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -88.25 57.79 4.44 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.773 -0.579 . . . . 0.0 109.6 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -70.68 95.38 1.1 Allowed 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.05 -29.33 23.51 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.509 -0.744 . . . . 0.0 110.001 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.702 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.09 84.61 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.371 -0.83 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.623 ' O ' HD23 ' A' ' 5' ' ' LEU . 15.6 p80 -131.36 -176.61 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.193 -0.942 . . . . 0.0 110.76 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -85.68 105.11 15.99 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.954 0.883 . . . . 0.0 110.479 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -118.98 144.4 46.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.094 -1.003 . . . . 0.0 111.175 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 51.97 21.1 1.4 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 0.0 111.397 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.18 20.41 15.1 Favored Glycine 0 N--CA 1.498 2.799 0 O-C-N 121.225 -0.922 . . . . 0.0 110.812 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.08 162.22 13.97 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.118 -1.224 . . . . 0.0 110.487 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 83.64 6.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.041 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.56 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -83.7 52.1 2.18 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.144 0.497 . . . . 0.0 110.903 -178.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 8.1 mmt85 64.33 -76.17 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.699 -0.626 . . . . 0.0 111.005 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 p -86.79 52.57 2.55 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 110.205 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.38 115.99 22.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.584 ' HB2' HD23 ' A' ' 5' ' ' LEU . 26.4 p80 -95.61 115.03 26.85 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.455 -0.778 . . . . 0.0 111.249 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -102.67 47.89 0.88 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.319 -0.863 . . . . 0.0 110.021 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 3' ' ' HIS . 2.0 pp -91.76 134.66 34.53 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.287 -0.883 . . . . 0.0 111.997 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 46.03 26.93 0.46 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.81 65.53 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.138 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.72 -163.04 0.76 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.387 -1.067 . . . . 0.0 109.716 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -81.53 82.8 7.19 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.701 0.763 . . . . 0.0 109.858 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.27 54.58 3.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.597 -0.689 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.22 85.8 1.4 Allowed 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.027 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.4 p -142.43 136.75 29.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.58 -0.7 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m 51.78 49.07 21.57 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.355 -0.84 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.528 ' CE1' HD12 ' A' ' 5' ' ' LEU . 21.3 p80 -89.63 137.97 31.87 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.584 -0.698 . . . . 0.0 109.934 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -89.91 118.65 29.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.107 -0.995 . . . . 0.0 111.397 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 3' ' ' HIS . 42.1 mt -119.35 59.49 0.85 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.321 -0.862 . . . . 0.0 109.637 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 19.98 1.3 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.327 -0.858 . . . . 0.0 111.495 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 29.73 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.632 -1.271 . . . . 0.0 110.318 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.28 -148.35 0.1 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.327 -1.102 . . . . 0.0 110.173 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -77.72 83.68 4.08 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.569 0.699 . . . . 0.0 109.765 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 55.56 3.58 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.683 -0.635 . . . . 0.0 110.262 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -72.32 104.99 3.9 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.044 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 t -139.72 154.22 47.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.565 -0.709 . . . . 0.0 109.911 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.938 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.7 p -158.8 27.37 0.22 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.376 -0.827 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 15.7 p80 -131.29 51.18 2.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.306 -0.871 . . . . 0.0 110.498 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 37.0 t-105 -87.8 48.83 1.7 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.371 -0.831 . . . . 0.0 110.479 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 10' ' ' ARG . 2.8 mp -98.97 12.44 35.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 111.424 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 59.73 14.07 3.87 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.202 -0.936 . . . . 0.0 111.908 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 11.21 13.82 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.411 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -85.87 -148.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.216 -1.167 . . . . 0.0 109.679 179.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.1 mtp -76.18 71.3 2.9 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.389 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.779 ' HA ' HD13 ' A' ' 5' ' ' LEU . 20.5 ptt180 -86.34 50.16 1.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.665 -0.647 . . . . 0.0 110.452 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -81.28 91.69 6.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.487 -0.758 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 t -89.0 161.04 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.361 -0.837 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.0 m -82.9 139.63 33.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.261 -0.899 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 9' ' ' MET . 20.7 p-80 -110.24 -156.78 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.582 0.706 . . . . 0.0 110.569 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -78.28 81.86 4.61 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.739 -0.6 . . . . 0.0 110.631 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 2.3 pp -112.75 130.51 56.04 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.299 -0.876 . . . . 0.0 112.17 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.22 50.09 3.34 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 -42.13 2.55 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 119.435 -1.364 . . . . 0.0 110.813 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-20 -82.34 107.52 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.29 . . . . 0.0 109.507 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' HIS . 14.6 ptm -82.76 -12.71 57.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.949 -1.094 . . . . 0.0 110.503 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -122.3 43.0 3.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.842 . . . . 0.0 109.874 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.605 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -83.76 78.5 9.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.496 -0.752 . . . . 0.0 110.96 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -98.42 177.25 5.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.447 ' O ' ' O ' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.215 -0.729 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER 59.88 149.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -83.69 -165.22 1.06 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.088 -1.007 . . . . 0.0 110.169 -178.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -78.87 162.98 25.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -113.97 -101.96 0.42 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.704 -0.622 . . . . 0.0 110.725 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.87 38.41 23.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.212 -0.93 . . . . 0.0 110.956 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -29.1 3.69 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -155.79 0.19 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.025 -1.28 . . . . 0.0 110.111 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG2' ' NE2' ' A' ' 3' ' ' HIS . 7.5 ptm -76.49 88.07 3.23 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.452 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 2.8 ptt85 -81.22 42.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.739 . . . . 0.0 111.875 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.38 49.67 1.21 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.389 -0.82 . . . . 0.0 110.576 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -89.65 -32.66 16.97 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.844 -1.16 . . . . 0.0 110.253 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.257 0 O-C-N 119.607 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_