data_2lk1_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 2lk1 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.221 -0.446 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.22 -0.467 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.53 88.48 6.64 Favored 'General case' 0 CA--C 1.509 -0.629 0 O-C-N 125.014 1.447 . . . . 1.0 109.769 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -88.05 60.95 6.08 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.9 80.07 2.79 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.51 166.92 1.59 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -154.83 141.03 18.53 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.701 0 O-C-N 120.716 -1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.736 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.573 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.736 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 8.1 ttpt 122.03 93.1 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 125.018 1.448 . . . . 0.57 107.756 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -90.64 57.57 3.64 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.245 0.93 . . . . 0.57 108.85 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -77.28 84.23 3.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 121.671 -0.643 . . . . 0.91 110.056 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.12 159.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.657 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.04 -68.31 0.09 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.646 0 O-C-N 119.447 -2.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.71 98.63 4.14 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.655 -1.609 . . . . 1.0 106.655 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -103.24 44.75 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.526 1.057 . . . . 0.0 109.696 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.86 94.58 8.77 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.349 0.406 . . . . 0.0 110.862 -175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -41.18 161.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.82 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.546 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -85.81 85.05 7.4 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 125.001 1.438 . . . . 1.0 107.866 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -90.89 60.48 4.41 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 63.93 74.06 0.42 Allowed 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.091 0.245 . . . . 0.0 111.04 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -50.91 166.22 0.09 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.351 0.655 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -79.39 92.8 5.25 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 125.042 1.464 . . . . 1.0 107.559 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -92.04 68.41 5.24 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.33 100.97 12.41 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -47.23 162.35 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.1 -58.14 0.12 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.884 -1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.537 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -90.34 94.9 9.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.036 1.46 . . . . 1.0 108.059 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -89.67 66.33 7.14 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.66 77.38 6.28 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -49.66 163.34 0.13 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -146.7 163.22 36.62 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 120.826 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -91.3 96.93 10.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.002 1.439 . . . . 1.0 107.934 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -97.17 64.81 1.96 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.57 73.06 5.13 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -55.88 162.89 1.63 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.04 158.53 26.47 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.657 0 O-C-N 120.94 -1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 94.72 6.73 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 106.528 -1.656 . . . . 1.0 106.528 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -100.47 46.8 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.89 76.8 6.58 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.44 168.33 2.83 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.86 -37.83 88.42 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 O-C-N 120.978 -1.076 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.547 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.87 89.31 3.47 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 124.95 1.406 . . . . 1.0 108.237 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -91.62 49.61 1.6 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 119.013 -0.517 . . . . 0.0 110.355 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -163.55 173.47 13.01 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.321 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -45.96 161.39 0.05 OUTLIER 'General case' 0 C--N 1.351 0.67 0 O-C-N 123.904 0.753 . . . . 0.0 112.655 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -118.92 -129.53 0.29 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.816 0 O-C-N 118.306 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.69 100.51 12.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 125.028 1.455 . . . . 1.0 107.287 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.74 63.65 1.43 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -75.23 78.29 2.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.08 165.33 4.34 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.935 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -117.34 -59.8 1.9 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.709 0 O-C-N 120.814 -1.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -80.24 91.69 5.63 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 125.0 1.437 . . . . 1.0 108.041 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -89.2 59.06 4.75 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.22 90.39 8.06 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 119.854 -0.739 . . . . 0.0 109.146 -174.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -40.79 163.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -160.05 -55.97 0.06 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 O-C-N 120.609 -1.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.722 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.722 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 36.5 ttpt 122.62 91.02 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.005 1.441 . . . . 1.0 107.48 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -92.9 58.19 2.95 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.2 89.12 6.0 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.686 -173.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -43.62 160.37 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.73 -176.95 6.02 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 121.051 -1.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -76.64 87.87 3.31 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 124.977 1.423 . . . . 1.0 108.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.68 69.62 4.8 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -86.83 56.49 4.03 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.929 0.786 . . . . 0.0 110.587 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -47.77 157.76 0.24 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -160.01 171.83 18.64 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -85.18 91.72 8.21 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.999 1.437 . . . . 1.0 107.856 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -90.64 65.3 5.93 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 55.16 61.81 2.76 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.353 0.524 . . . . 0.0 111.864 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 -54.2 172.86 0.08 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.07 161.42 30.16 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.387 -0.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -96.97 85.84 3.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 124.962 1.413 . . . . 1.0 108.288 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -94.52 66.75 3.32 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.34 73.89 10.48 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.67 161.26 0.14 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 -44.61 8.55 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 120.747 -1.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -77.11 88.9 3.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 125.028 1.455 . . . . 1.0 108.328 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -83.35 67.52 9.31 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 119.196 -1.002 . . . . 0.0 109.743 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.36 93.86 6.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.609 0.64 . . . . 0.0 110.471 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -44.23 160.33 0.03 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.7 47.38 0.23 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 O-C-N 121.396 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.523 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -90.01 83.55 6.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 125.031 1.457 . . . . 1.0 108.528 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -92.41 56.47 2.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 72.04 124.0 0.03 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.996 -0.526 . . . . 0.0 112.061 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.56 177.18 2.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.06 -61.49 0.12 Allowed 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.7 0 O-C-N 120.915 -1.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.711 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 19.9 ttmt 123.95 108.82 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -110.17 49.08 0.86 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.5 78.88 1.93 Allowed 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -54.98 167.82 0.36 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 71.55 -65.53 0.34 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.605 -1.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.562 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -87.09 77.6 9.09 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.056 1.472 . . . . 1.0 107.39 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -109.58 38.43 2.35 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.16 91.28 0.46 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -175.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 174.99 14.41 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.401 1.0 . . . . 0.0 111.387 -173.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.99 142.29 27.76 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.691 0 O-C-N 120.898 -1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.541 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.2 96.37 6.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.005 1.441 . . . . 1.0 107.558 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.23 47.01 1.08 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -150.56 173.54 13.98 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.42 166.94 0.54 Allowed 'General case' 0 C--N 1.35 0.596 0 O-C-N 124.213 0.946 . . . . 0.0 110.556 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 -63.5 0.42 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.703 0 O-C-N 120.249 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 13' ' ' ASN . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 12' ' ' LEU . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.221 -0.446 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 13' ' ' ASN . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.628 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 14' ' ' ASN . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' TRP . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.22 -0.467 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' N ' HD23 ' A' ' 12' ' ' LEU . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.414 ' CE3' ' ND2' ' A' ' 14' ' ' ASN . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' ND2' ' CE3' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 13' ' ' ASN . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HD13 ' A' ' 12' ' ' LEU . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.53 88.48 6.64 Favored 'General case' 0 CA--C 1.509 -0.629 0 O-C-N 125.014 1.447 . . . . 1.0 109.769 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -88.05 60.95 6.08 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.9 80.07 2.79 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.51 166.92 1.59 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 13' ' ' ASN . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 12' ' ' LEU . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -154.83 141.03 18.53 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.701 0 O-C-N 120.716 -1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.736 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.573 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.736 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 8.1 ttpt 122.03 93.1 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 125.018 1.448 . . . . 0.57 107.756 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -90.64 57.57 3.64 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.245 0.93 . . . . 0.57 108.85 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -77.28 84.23 3.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 121.671 -0.643 . . . . 0.91 110.056 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.12 159.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.657 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.04 -68.31 0.09 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.646 0 O-C-N 119.447 -2.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.71 98.63 4.14 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.655 -1.609 . . . . 1.0 106.655 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -103.24 44.75 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.526 1.057 . . . . 0.0 109.696 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.86 94.58 8.77 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.349 0.406 . . . . 0.0 110.862 -175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -41.18 161.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 13' ' ' ASN . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.628 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.82 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.546 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -85.81 85.05 7.4 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 125.001 1.438 . . . . 1.0 107.866 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -90.89 60.48 4.41 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 63.93 74.06 0.42 Allowed 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.091 0.245 . . . . 0.0 111.04 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -50.91 166.22 0.09 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.351 0.655 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -79.39 92.8 5.25 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 125.042 1.464 . . . . 1.0 107.559 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -92.04 68.41 5.24 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.33 100.97 12.41 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -47.23 162.35 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.1 -58.14 0.12 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.884 -1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.537 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -90.34 94.9 9.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.036 1.46 . . . . 1.0 108.059 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -89.67 66.33 7.14 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.66 77.38 6.28 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -49.66 163.34 0.13 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD21 ' H5 ' ' A' ' 32' ' ' AQN . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -146.7 163.22 36.62 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 120.826 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' AQN . . . . . 0.459 ' H5 ' HD21 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -91.3 96.93 10.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.002 1.439 . . . . 1.0 107.934 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -97.17 64.81 1.96 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.57 73.06 5.13 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -55.88 162.89 1.63 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.04 158.53 26.47 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.657 0 O-C-N 120.94 -1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 94.72 6.73 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 106.528 -1.656 . . . . 1.0 106.528 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -100.47 46.8 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.89 76.8 6.58 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.44 168.33 2.83 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.86 -37.83 88.42 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 O-C-N 120.978 -1.076 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.547 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.87 89.31 3.47 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 124.95 1.406 . . . . 1.0 108.237 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -91.62 49.61 1.6 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 119.013 -0.517 . . . . 0.0 110.355 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -163.55 173.47 13.01 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.321 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -45.96 161.39 0.05 OUTLIER 'General case' 0 C--N 1.351 0.67 0 O-C-N 123.904 0.753 . . . . 0.0 112.655 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 14' ' ' ASN . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' TRP . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -118.92 -129.53 0.29 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.816 0 O-C-N 118.306 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.69 100.51 12.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 125.028 1.455 . . . . 1.0 107.287 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.74 63.65 1.43 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -75.23 78.29 2.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.08 165.33 4.34 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.935 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -117.34 -59.8 1.9 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.709 0 O-C-N 120.814 -1.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -80.24 91.69 5.63 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 125.0 1.437 . . . . 1.0 108.041 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -89.2 59.06 4.75 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.22 90.39 8.06 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 119.854 -0.739 . . . . 0.0 109.146 -174.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -40.79 163.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -160.05 -55.97 0.06 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 O-C-N 120.609 -1.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.722 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.722 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 36.5 ttpt 122.62 91.02 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.005 1.441 . . . . 1.0 107.48 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -92.9 58.19 2.95 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.2 89.12 6.0 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.686 -173.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -43.62 160.37 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.73 -176.95 6.02 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 121.051 -1.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -76.64 87.87 3.31 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 124.977 1.423 . . . . 1.0 108.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.68 69.62 4.8 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -86.83 56.49 4.03 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.929 0.786 . . . . 0.0 110.587 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -47.77 157.76 0.24 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -160.01 171.83 18.64 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -85.18 91.72 8.21 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.999 1.437 . . . . 1.0 107.856 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -90.64 65.3 5.93 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 55.16 61.81 2.76 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.353 0.524 . . . . 0.0 111.864 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 -54.2 172.86 0.08 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.07 161.42 30.16 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.387 -0.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -96.97 85.84 3.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 124.962 1.413 . . . . 1.0 108.288 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -94.52 66.75 3.32 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.34 73.89 10.48 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.67 161.26 0.14 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 -44.61 8.55 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 120.747 -1.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -77.11 88.9 3.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 125.028 1.455 . . . . 1.0 108.328 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -83.35 67.52 9.31 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 119.196 -1.002 . . . . 0.0 109.743 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.36 93.86 6.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.609 0.64 . . . . 0.0 110.471 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -44.23 160.33 0.03 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' N ' HD23 ' A' ' 12' ' ' LEU . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.7 47.38 0.23 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 O-C-N 121.396 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' AQN . . . . . 0.435 ' H5 ' HD21 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.523 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -90.01 83.55 6.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 125.031 1.457 . . . . 1.0 108.528 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -92.41 56.47 2.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 72.04 124.0 0.03 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.996 -0.526 . . . . 0.0 112.061 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.56 177.18 2.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.06 -61.49 0.12 Allowed 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.7 0 O-C-N 120.915 -1.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.711 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 19.9 ttmt 123.95 108.82 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -110.17 49.08 0.86 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.5 78.88 1.93 Allowed 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -54.98 167.82 0.36 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 71.55 -65.53 0.34 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.605 -1.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.562 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -87.09 77.6 9.09 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.056 1.472 . . . . 1.0 107.39 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -109.58 38.43 2.35 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.16 91.28 0.46 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -175.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 174.99 14.41 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.401 1.0 . . . . 0.0 111.387 -173.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 13' ' ' ASN . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HD13 ' A' ' 12' ' ' LEU . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.99 142.29 27.76 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.691 0 O-C-N 120.898 -1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.541 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.2 96.37 6.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.005 1.441 . . . . 1.0 107.558 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.23 47.01 1.08 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -150.56 173.54 13.98 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.42 166.94 0.54 Allowed 'General case' 0 C--N 1.35 0.596 0 O-C-N 124.213 0.946 . . . . 0.0 110.556 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 -63.5 0.42 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.703 0 O-C-N 120.249 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 13' ' ' ASN . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 12' ' ' LEU . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--O 1.221 -0.446 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 13' ' ' ASN . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.628 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.22 -0.481 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 14' ' ' ASN . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' TRP . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.22 -0.467 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' N ' HD23 ' A' ' 12' ' ' LEU . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.544 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 13' ' ' ASN . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HD13 ' A' ' 12' ' ' LEU . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.53 88.48 6.64 Favored 'General case' 0 CA--C 1.509 -0.629 0 O-C-N 125.014 1.447 . . . . 1.0 109.769 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -88.05 60.95 6.08 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.9 80.07 2.79 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.51 166.92 1.59 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.602 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.2 p-90 -130.13 160.37 33.96 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.68 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 121.45 45.16 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.796 1.31 . . . . 0.0 108.311 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.96 151.0 36.16 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.271 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 35.23 2.93 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -138.19 -59.27 0.64 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 106.541 -1.651 . . . . 1.0 106.541 -173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.11 5.91 26.41 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.322 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 62.84 27.37 16.0 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.079 1.763 . . . . 0.0 114.978 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 13' ' ' ASN . 2.1 tt -103.12 129.92 50.12 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.142 0.883 . . . . 0.0 109.177 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 12' ' ' LEU . 49.1 t30 -63.69 111.53 2.45 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 116.774 -1.584 . . . . 0.0 112.872 172.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -110.61 151.34 27.77 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-N 120.684 1.584 . . . . 0.0 110.619 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -57.03 159.71 4.07 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.861 0.755 . . . . 0.0 112.92 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -71.26 -42.62 68.56 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 118.325 -0.845 . . . . 1.0 111.025 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -50.51 -35.51 29.65 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.039 -1.064 . . . . 1.0 109.968 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -75.61 113.44 13.05 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.7 -33.03 74.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.711 -1.138 . . . . 0.0 109.241 172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -107.74 162.56 13.87 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 118.603 0.638 . . . . 1.0 112.187 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 t -71.51 154.06 41.75 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -107.03 46.22 0.94 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 123.73 0.644 . . . . 0.0 109.388 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -152.12 -59.55 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.5 p -102.36 4.72 39.27 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.566 1.075 . . . . 0.0 113.247 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.37 6.98 16.79 Favored Glycine 0 C--N 1.356 1.649 0 CA-C-O 116.969 -2.017 . . . . 0.0 114.761 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.5 132.64 34.16 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 120.797 2.298 . . . . 0.0 109.717 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.47 161.63 14.06 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.341 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -52.71 -33.52 48.16 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.571 -1.204 . . . . 1.0 110.111 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.75 42.57 1.38 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.685 0.675 . . . . 0.0 110.797 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -154.83 141.03 18.53 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.701 0 O-C-N 120.716 -1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.736 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.573 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.736 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 8.1 ttpt 122.03 93.1 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 125.018 1.448 . . . . 0.57 107.756 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -90.64 57.57 3.64 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.245 0.93 . . . . 0.57 108.85 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -77.28 84.23 3.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 121.671 -0.643 . . . . 0.91 110.056 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.12 159.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.657 0 N-CA-C 114.922 1.453 . . . . 0.91 114.922 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -135.48 159.58 41.16 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.392 -0.813 . . . . 0.57 110.9 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -104.77 123.17 47.2 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.259 0.974 . . . . 0.57 108.408 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -66.56 152.58 44.99 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.45 -0.9 . . . . 0.57 111.361 -170.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -100.43 26.33 6.76 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 123.521 0.513 . . . . 0.57 110.754 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -132.1 -59.24 0.94 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.299 -1.0 . . . . 0.57 108.299 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.24 5.94 26.18 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.888 -0.577 . . . . 0.57 112.338 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.73 19.28 10.4 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.016 1.488 . . . . 0.57 115.016 176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 tp -84.14 149.46 26.16 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.061 1.3 . . . . 0.57 108.654 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.08 123.8 33.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.219 -1.848 . . . . 0.57 107.254 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -120.15 150.16 41.08 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.817 1.644 . . . . 0.57 109.927 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -58.95 157.66 9.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 118.902 -1.119 . . . . 0.57 112.051 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -35.37 58.25 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 120.212 -0.595 . . . . 1.2 110.783 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.24 -37.28 72.05 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 118.932 -1.107 . . . . 0.57 108.921 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.68 102.88 0.79 Allowed 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 118.559 -1.256 . . . . 1.2 108.249 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.01 -21.53 64.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.217 -1.373 . . . . 0.57 112.207 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -124.91 163.37 22.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.258 1.39 . . . . 0.57 108.454 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.7 152.2 44.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 119.105 -1.038 . . . . 0.57 109.392 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -105.98 43.36 1.14 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.222 -0.658 . . . . 0.57 109.222 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -142.57 -60.41 0.44 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 107.17 -1.418 . . . . 1.2 107.17 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.95 -1.83 31.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.244 -0.884 . . . . 0.57 113.16 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.1 57.83 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 117.563 -1.687 . . . . 0.57 114.113 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 164.14 18.22 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 120.462 2.131 . . . . 0.57 107.755 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.99 145.27 26.09 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.25 -1.018 . . . . 0.91 108.25 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -51.07 -27.25 7.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.73 -1.128 . . . . 0.57 111.104 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.3 31.69 6.57 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.325 0.966 . . . . 0.57 109.221 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 64.04 -68.31 0.09 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 112.38 0.511 . . . . 0.91 112.38 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.646 0 O-C-N 119.447 -2.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.71 98.63 4.14 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.655 -1.609 . . . . 1.0 106.655 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -103.24 44.75 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.526 1.057 . . . . 0.0 109.696 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.86 94.58 8.77 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.349 0.406 . . . . 0.0 110.862 -175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -41.18 161.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 173.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -129.88 153.31 48.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-O 117.777 -1.106 . . . . 0.0 111.576 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 141.02 28.85 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.93 157.37 35.11 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -106.81 41.06 1.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -147.06 -59.52 0.28 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.712 -1.218 . . . . 1.0 107.712 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -108.34 5.16 25.26 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t 60.07 30.66 20.11 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 13' ' ' ASN . 7.2 tt -102.12 146.3 28.14 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.553 1.069 . . . . 0.0 109.489 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.628 ' N ' HD23 ' A' ' 12' ' ' LEU . 21.7 t-20 -80.86 97.5 7.42 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.547 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -94.78 150.84 19.78 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 119.508 1.049 . . . . 0.0 110.954 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -61.88 155.37 23.55 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 118.933 -1.107 . . . . 0.0 111.278 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -71.67 -37.22 70.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 118.132 -0.937 . . . . 1.0 109.829 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -51.04 -38.75 53.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.945 -1.102 . . . . 1.0 110.272 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -76.16 123.71 26.28 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.008 -1.077 . . . . 1.0 108.266 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -71.03 -34.65 71.5 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 117.818 -1.087 . . . . 0.0 109.082 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -103.6 165.24 11.16 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.625 0.648 . . . . 1.0 111.794 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.63 154.09 38.68 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 117.894 -1.05 . . . . 0.0 108.308 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -107.25 49.9 0.79 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -155.5 -58.99 0.1 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.36 6.36 26.33 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 118.125 -0.94 . . . . 0.0 113.248 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.57 5.82 9.76 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-O 116.965 -2.019 . . . . 0.0 115.875 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.98 146.39 28.81 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 120.628 2.214 . . . . 0.0 108.095 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -82.71 149.76 27.12 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.555 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -54.16 -25.28 21.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.003 -1.475 . . . . 1.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.28 32.79 5.96 Favored 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.957 1.253 . . . . 0.0 108.619 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.82 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.756 0.707 . . . . 0.0 111.513 -176.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.546 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -85.81 85.05 7.4 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 125.001 1.438 . . . . 1.0 107.866 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -90.89 60.48 4.41 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 63.93 74.06 0.42 Allowed 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.091 0.245 . . . . 0.0 111.04 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -50.91 166.22 0.09 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.478 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -131.62 159.23 38.89 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.35 125.02 50.22 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.524 1.14 . . . . 0.0 108.484 -171.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -67.69 156.86 35.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.147 -171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.04 42.53 1.29 Allowed 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.199 0.937 . . . . 0.0 108.49 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -148.91 -62.77 0.23 Allowed 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.648 -1.242 . . . . 1.0 107.648 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -106.74 0.97 24.59 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.928 -1.034 . . . . 0.0 113.189 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t 62.74 30.36 16.78 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.812 1.187 . . . . 0.0 114.02 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 tp -98.6 150.03 22.16 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -87.77 123.55 32.69 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.787 -1.578 . . . . 0.0 107.569 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -118.98 146.98 44.55 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 119.845 1.202 . . . . 0.0 109.222 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -59.2 157.98 9.71 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.648 -1.221 . . . . 0.0 111.413 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -69.97 -45.3 67.69 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 119.217 -0.993 . . . . 1.0 109.053 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -50.84 -39.69 54.09 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 119.491 -0.884 . . . . 1.0 109.015 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -63.71 105.29 0.78 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 118.712 -1.195 . . . . 1.0 108.786 176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -23.6 67.08 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 116.921 -1.514 . . . . 0.0 111.98 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -118.46 167.34 11.68 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.903 1.228 . . . . 1.0 110.189 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -74.78 153.12 38.92 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -108.27 48.74 0.84 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -149.1 -59.38 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.496 -1.298 . . . . 1.0 107.496 171.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -108.6 7.3 26.58 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.18 10.28 33.5 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.356 -1.802 . . . . 0.0 115.475 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.69 148.98 38.22 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-N 120.767 2.283 . . . . 0.0 108.635 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.45 166.44 14.8 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.366 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -43.45 -42.15 4.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.61 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.5 OUTLIER -100.72 41.61 1.17 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.787 0.68 . . . . 0.0 110.181 -178.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.455 0.571 . . . . 0.0 111.894 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.351 0.655 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -79.39 92.8 5.25 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 125.042 1.464 . . . . 1.0 107.559 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -92.04 68.41 5.24 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.33 100.97 12.41 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -47.23 162.35 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -133.22 163.63 28.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.394 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.47 119.8 40.35 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -170.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.45 156.2 26.84 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.148 -172.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.91 39.55 1.83 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -151.37 -60.53 0.17 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.465 -1.255 . . . . 1.0 108.192 -173.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -102.37 -0.82 32.04 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.694 1.134 . . . . 0.0 113.657 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 m 64.0 32.88 12.7 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.27 148.43 24.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.16 0.891 . . . . 0.0 109.073 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.36 117.33 22.94 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.027 -1.464 . . . . 0.0 108.155 173.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -112.99 151.06 31.04 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 119.878 1.217 . . . . 0.0 109.754 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -60.54 157.91 13.34 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.773 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -65.98 -51.43 58.48 Favored 'General case' 0 CA--C 1.501 -0.927 0 C-N-CA 119.934 -0.707 . . . . 1.0 109.187 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -45.58 -43.6 12.24 Favored 'General case' 0 CA--C 1.504 -0.814 0 O-C-N 124.172 0.92 . . . . 1.0 109.37 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -64.32 112.9 3.28 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 118.725 -1.19 . . . . 1.0 109.587 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -20.78 64.91 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.886 -1.531 . . . . 0.0 111.605 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -122.92 164.52 18.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 119.911 1.232 . . . . 1.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.48 153.49 41.34 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 117.449 -1.262 . . . . 0.0 107.785 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -107.81 46.58 0.94 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.903 0.774 . . . . 0.0 109.113 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -146.09 -59.66 0.31 Allowed 'General case' 0 C--N 1.351 0.654 0 N-CA-C 107.427 -1.323 . . . . 1.0 107.427 171.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.18 10.74 29.93 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.487 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 13.95 20.7 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.077 -1.957 . . . . 0.0 116.015 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.87 134.18 35.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.386 2.093 . . . . 0.0 110.15 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.61 162.47 28.87 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.755 0.707 . . . . 0.0 111.81 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -39.05 -46.91 1.44 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.576 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -102.92 51.97 0.79 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 123.858 0.724 . . . . 0.0 109.988 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.1 -58.14 0.12 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.884 -1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.537 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -90.34 94.9 9.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 125.036 1.46 . . . . 1.0 108.059 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -89.67 66.33 7.14 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.66 77.38 6.28 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -49.66 163.34 0.13 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -132.71 148.07 52.33 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.622 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.74 138.22 32.75 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.28 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.61 159.72 33.42 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.4 40.07 1.69 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -149.28 -59.32 0.21 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-O 117.664 -1.16 . . . . 1.0 107.98 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.4 p -108.67 8.58 27.01 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.224 0.92 . . . . 0.0 113.429 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 25.15 10.13 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD21 ' H5 ' ' A' ' 32' ' ' AQN . 8.5 tt -90.17 147.97 23.25 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.568 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.44 ' N ' HD23 ' A' ' 12' ' ' LEU . 37.1 t-20 -88.61 97.43 11.1 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -91.71 152.93 19.97 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.679 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.09 161.29 7.0 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.02 -173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -52.49 30.84 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 119.36 -0.936 . . . . 1.0 109.756 175.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.31 -30.28 27.46 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.243 -1.383 . . . . 1.0 111.122 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -70.0 120.33 15.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 118.577 -1.249 . . . . 1.0 109.015 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -26.44 58.9 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.38 -1.771 . . . . 0.0 109.701 166.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -113.85 156.32 24.14 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 120.368 1.44 . . . . 1.0 113.938 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.2 151.36 44.42 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.347 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.23 50.84 0.77 Allowed 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -155.85 -58.54 0.1 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.092 -1.077 . . . . 1.0 108.092 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.82 10.58 17.8 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-O 118.36 -0.829 . . . . 0.0 113.187 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.25 4.51 12.38 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.429 -1.762 . . . . 0.0 115.728 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.76 119.03 16.43 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 120.638 2.219 . . . . 0.0 110.608 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.26 162.29 6.17 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.925 0.784 . . . . 0.0 111.181 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -42.55 -41.73 3.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.708 -1.139 . . . . 1.0 111.648 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.11 54.08 0.74 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 118.786 0.721 . . . . 0.0 109.243 -176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -146.7 163.22 36.62 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 120.826 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . 0.459 ' H5 ' HD21 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -91.3 96.93 10.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 125.002 1.439 . . . . 1.0 107.934 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -97.17 64.81 1.96 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.57 73.06 5.13 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -55.88 162.89 1.63 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.023 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -140.41 161.1 38.52 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.315 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.15 136.01 47.73 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 t -76.33 154.32 35.13 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.813 -1.089 . . . . 0.0 108.852 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.43 -20.52 17.08 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.597 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -77.23 -66.5 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 120.621 1.555 . . . . 1.0 108.414 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.3 p -90.1 -4.35 57.39 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 117.172 -1.394 . . . . 0.0 113.588 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m 60.19 41.97 16.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.68 1.582 . . . . 0.0 112.746 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.03 146.7 43.88 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -70.14 155.13 41.06 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.191 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -145.11 157.11 44.19 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 116.319 -1.8 . . . . 0.0 108.147 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -84.62 162.37 19.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 121.164 1.802 . . . . 0.0 111.159 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -61.6 -53.56 54.63 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 120.409 -0.517 . . . . 1.0 109.876 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -37.75 23.15 Favored 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 124.318 1.011 . . . . 1.0 109.37 -175.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -75.67 112.43 12.03 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.198 -1.038 . . . . 1.0 108.198 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.0 -32.24 68.99 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.342 170.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -100.82 162.66 12.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.623 0.647 . . . . 1.0 111.18 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -79.32 154.7 28.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 117.648 -1.167 . . . . 0.0 108.424 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -105.91 51.66 0.75 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.633 0.651 . . . . 0.0 109.694 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -161.65 -57.28 0.05 OUTLIER 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.463 -1.256 . . . . 1.0 108.594 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.9 p -107.25 1.71 24.12 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 119.52 1.055 . . . . 0.0 113.492 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.82 8.28 27.08 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.069 -1.962 . . . . 0.0 114.976 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.6 130.76 34.65 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.363 2.082 . . . . 0.0 108.48 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.84 152.09 46.12 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.251 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -55.41 -25.77 37.81 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.187 -1.387 . . . . 1.0 111.734 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 38.52 3.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.04 158.53 26.47 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.657 0 O-C-N 120.94 -1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.604 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 94.72 6.73 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 106.528 -1.656 . . . . 1.0 106.528 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -100.47 46.8 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.89 76.8 6.58 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.44 168.33 2.83 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.674 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -139.84 160.35 40.11 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 118.411 -0.804 . . . . 0.0 110.286 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -106.71 117.83 35.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.84 152.72 35.33 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.439 -172.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 33.67 3.71 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.049 0.843 . . . . 0.0 109.243 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -138.67 -59.25 0.62 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.624 -1.25 . . . . 1.0 107.624 -173.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.3 p -104.72 3.4 31.35 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 117.603 -1.189 . . . . 0.0 112.576 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.3 42.02 25.77 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.925 1.239 . . . . 0.0 113.768 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.09 146.83 46.32 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.55 149.78 45.39 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.791 -1.099 . . . . 0.0 110.969 172.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -145.6 151.94 38.89 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.36 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -62.83 163.04 10.04 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.144 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -65.8 -59.53 3.79 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.538 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -33.42 64.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.19 108.46 0.79 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 107.539 -1.282 . . . . 1.0 107.539 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.97 -28.0 67.07 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.101 173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -112.31 165.36 12.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 123.661 0.601 . . . . 1.0 110.664 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -73.19 149.95 42.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.676 -1.154 . . . . 0.0 107.912 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -101.36 43.17 1.08 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.705 0.684 . . . . 0.0 109.367 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -145.81 -60.76 0.33 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.726 -1.213 . . . . 1.0 107.726 173.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.61 1.91 35.36 Favored 'General case' 0 C--N 1.36 1.065 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.067 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.8 5.71 40.12 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.789 -2.117 . . . . 0.0 114.842 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.55 152.23 22.8 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 120.599 2.2 . . . . 0.0 108.826 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -85.63 147.19 26.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.064 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -53.27 -27.59 23.43 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.285 -1.34 . . . . 1.0 111.24 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.18 38.92 3.39 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.491 1.041 . . . . 0.0 108.209 -174.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.86 -37.83 88.42 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.247 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 O-C-N 120.978 -1.076 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.547 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.87 89.31 3.47 Favored 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 124.95 1.406 . . . . 1.0 108.237 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -91.62 49.61 1.6 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 119.013 -0.517 . . . . 0.0 110.355 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -163.55 173.47 13.01 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.321 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -45.96 161.39 0.05 OUTLIER 'General case' 0 C--N 1.351 0.67 0 O-C-N 123.904 0.753 . . . . 0.0 112.655 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 14' ' ' ASN . 59.3 p-90 -136.94 165.12 26.72 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 117.763 -1.113 . . . . 0.0 109.344 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -119.38 117.65 29.07 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -56.6 144.82 30.44 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.032 -173.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.34 19.11 13.73 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.356 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -120.49 -59.66 1.74 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.786 -1.561 . . . . 1.0 106.786 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.9 p -103.41 6.13 37.52 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-O 117.501 -1.238 . . . . 0.0 113.231 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.9 m 57.63 40.95 26.25 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.429 1.468 . . . . 0.0 113.894 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -119.7 147.6 44.38 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -84.93 142.94 29.31 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.445 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' TRP . 2.4 m120 -136.25 153.19 51.28 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.882 -1.532 . . . . 0.0 109.237 -168.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -73.94 160.71 30.98 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.828 1.649 . . . . 0.0 111.844 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -63.84 -52.37 60.41 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 118.383 -0.817 . . . . 1.0 110.562 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -47.9 -41.25 23.98 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 119.32 -0.952 . . . . 1.0 109.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -71.01 116.63 11.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 118.701 -1.2 . . . . 1.0 109.212 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -79.45 -15.96 56.93 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.308 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -120.8 159.91 24.48 Favored 'General case' 0 C--N 1.361 1.077 0 CA-C-N 119.659 1.118 . . . . 1.0 110.727 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.75 139.25 38.46 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.156 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.18 7.43 35.34 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.436 -1.268 . . . . 0.0 112.675 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -63.26 1.46 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.191 -1.385 . . . . 1.0 108.027 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.22 -6.95 59.24 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.451 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.88 8.98 65.22 Favored Glycine 0 C--N 1.356 1.681 0 CA-C-O 117.07 -1.961 . . . . 0.0 113.442 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.21 142.07 34.04 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.819 1.81 . . . . 0.0 108.753 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.22 166.3 18.68 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.268 0.94 . . . . 0.0 110.85 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -30.3 55.32 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.342 -1.313 . . . . 1.0 111.013 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -111.22 43.05 1.54 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.995 0.816 . . . . 0.0 110.222 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -118.92 -129.53 0.29 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.816 0 O-C-N 118.306 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.561 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.69 100.51 12.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 125.028 1.455 . . . . 1.0 107.287 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.74 63.65 1.43 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -75.23 78.29 2.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.08 165.33 4.34 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.935 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -143.75 164.65 29.87 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 117.324 -1.322 . . . . 0.0 109.17 -175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.18 135.91 54.84 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.331 1.02 . . . . 0.0 110.549 -173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.4 113.81 18.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.422 -172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -64.89 -19.59 65.99 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.657 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -69.32 -57.13 5.71 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.379 1.445 . . . . 1.0 110.736 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.7 p -113.11 13.38 19.32 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 t 54.98 33.75 20.88 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.08 131.98 55.11 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.44 161.99 6.8 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 120.185 1.357 . . . . 0.0 111.049 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -148.13 146.23 28.69 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.621 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -72.57 162.91 28.86 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.794 1.634 . . . . 0.0 111.702 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.59 -49.93 71.44 Favored 'General case' 0 CA--C 1.501 -0.905 0 O-C-N 123.372 0.42 . . . . 1.0 110.586 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -48.13 -41.99 28.04 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 123.709 0.63 . . . . 1.0 110.178 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -68.43 103.44 1.65 Allowed 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 119.508 -0.877 . . . . 1.0 110.276 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.57 -39.03 79.14 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.012 -1.47 . . . . 0.0 109.575 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -111.35 161.43 16.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.218 0.917 . . . . 1.0 113.079 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.31 155.78 38.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.795 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -107.58 49.71 0.8 Allowed 'General case' 0 CA--C 1.506 -0.741 0 O-C-N 123.83 0.706 . . . . 0.0 109.442 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -153.8 -59.39 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 107.619 -1.252 . . . . 1.0 107.619 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.12 3.99 28.62 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.741 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.43 20.64 45.88 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 121.068 1.758 . . . . 0.0 114.438 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.39 124.06 34.11 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.551 1.676 . . . . 0.0 108.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.22 164.38 8.85 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.648 1.113 . . . . 0.0 109.963 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -54.57 -32.72 58.99 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.743 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.47 41.38 1.78 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.303 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -117.34 -59.8 1.9 Allowed 'General case' 0 C--N 1.356 0.89 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.709 0 O-C-N 120.814 -1.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -80.24 91.69 5.63 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 125.0 1.437 . . . . 1.0 108.041 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -89.2 59.06 4.75 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.22 90.39 8.06 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 119.854 -0.739 . . . . 0.0 109.146 -174.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -40.79 163.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -133.61 156.99 46.85 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.123 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 129.29 45.76 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.319 1.012 . . . . 0.0 108.303 -174.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -68.91 156.37 38.63 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.764 -173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.25 24.95 10.13 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.986 0.804 . . . . 0.0 110.26 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -129.22 -66.18 0.83 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.91 -1.515 . . . . 1.0 106.91 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 p -100.43 5.37 44.24 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.079 -0.963 . . . . 0.0 113.407 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 m 56.42 33.85 23.17 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -99.83 143.3 30.22 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -77.41 120.44 22.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.258 -1.353 . . . . 0.0 108.911 172.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -116.69 152.38 34.4 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.575 1.079 . . . . 0.0 110.016 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.16 154.73 15.45 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 118.902 -1.119 . . . . 0.0 112.479 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -68.0 -44.32 76.84 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 108.95 -0.759 . . . . 1.0 108.95 175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -49.15 -35.93 17.99 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.67 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -79.8 126.83 31.47 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 119.026 -1.07 . . . . 1.0 109.791 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.87 -36.74 72.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.354 -1.308 . . . . 0.0 109.248 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -102.05 160.94 14.07 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 119.055 0.843 . . . . 1.0 113.033 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 t -72.56 155.98 39.49 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -110.66 49.62 0.85 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.08 -59.8 0.2 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 114.358 -1.292 . . . . 1.0 107.879 171.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -105.8 8.91 33.04 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.519 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.99 12.42 29.42 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-O 117.001 -1.999 . . . . 0.0 115.58 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.26 131.49 36.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.455 2.127 . . . . 0.0 110.664 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.42 161.65 28.98 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -41.94 -50.18 4.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.76 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.49 55.49 0.65 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 118.962 0.801 . . . . 0.0 109.589 -176.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -160.05 -55.97 0.06 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 O-C-N 120.609 -1.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.722 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.722 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 36.5 ttpt 122.62 91.02 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.005 1.441 . . . . 1.0 107.48 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -92.9 58.19 2.95 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.2 89.12 6.0 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.686 -173.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -43.62 160.37 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -132.6 160.5 36.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.811 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.66 124.63 49.88 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.383 1.052 . . . . 0.0 109.985 -174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -65.54 151.22 46.95 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.019 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -103.23 34.07 3.06 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.686 0.617 . . . . 0.0 109.766 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.49 -62.28 0.57 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.347 -1.353 . . . . 1.0 107.347 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.48 8.81 29.61 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 m 55.15 28.29 10.79 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 136.08 33.66 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.34 112.53 12.94 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.633 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -102.6 155.05 18.55 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 120.623 1.556 . . . . 0.0 110.193 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -62.52 159.31 15.99 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.038 -1.065 . . . . 0.0 111.27 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -66.1 -48.48 70.79 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.552 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -49.41 -40.95 38.2 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.039 0.837 . . . . 1.0 109.307 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -66.19 105.61 1.44 Allowed 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.737 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.06 -39.01 77.4 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.87 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -107.38 165.62 11.26 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.6 0.637 . . . . 1.0 112.676 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.27 155.69 37.98 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.776 -1.107 . . . . 0.0 109.297 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -110.56 52.63 0.72 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.43 -60.3 0.07 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 114.585 -1.189 . . . . 1.0 107.997 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.17 7.8 25.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.022 -0.989 . . . . 0.0 113.502 175.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.29 6.37 5.74 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 116.927 -2.041 . . . . 0.0 115.919 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.03 138.56 34.85 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 120.865 2.332 . . . . 0.0 107.363 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.64 151.86 34.12 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.209 -0.997 . . . . 0.0 108.424 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -54.11 -26.54 27.82 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 117.335 -1.317 . . . . 1.0 111.323 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.29 19.37 13.25 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.676 1.125 . . . . 0.0 111.568 -173.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.73 -176.95 6.02 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.68 1.127 . . . . 0.0 108.639 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 121.051 -1.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.57 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -76.64 87.87 3.31 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 124.977 1.423 . . . . 1.0 108.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.68 69.62 4.8 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -86.83 56.49 4.03 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.929 0.786 . . . . 0.0 110.587 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -47.77 157.76 0.24 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -134.88 167.88 20.09 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 117.505 -1.236 . . . . 0.0 108.306 -176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -124.07 134.7 53.33 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 123.988 0.805 . . . . 0.0 109.039 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.9 t -80.35 121.8 26.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.195 -0.907 . . . . 0.0 109.097 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -20.82 62.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.498 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -72.77 -55.37 6.84 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.364 0.984 . . . . 1.0 110.65 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.43 6.43 32.49 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.169 -0.919 . . . . 0.0 112.866 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t 57.75 41.31 25.35 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.786 -1.102 . . . . 0.0 113.673 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -121.47 143.45 49.24 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.347 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.0 t-20 -59.14 160.17 6.6 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.017 0.826 . . . . 0.0 109.697 175.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 3.4 m120 -149.3 159.68 44.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.43 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.69 162.09 18.93 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 120.488 1.494 . . . . 0.0 110.8 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -57.6 8.91 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.315 177.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -54.71 -26.88 36.66 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.516 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -74.19 116.94 15.41 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.228 -1.027 . . . . 1.0 108.228 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.64 -32.73 58.2 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 108.513 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.11 164.57 12.04 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 119.557 1.071 . . . . 1.0 111.398 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.9 t -64.75 155.79 32.58 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -102.82 51.13 0.81 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.984 0.803 . . . . 0.0 108.846 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -155.86 -60.87 0.11 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.157 -1.053 . . . . 1.0 108.157 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.24 4.14 36.33 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.938 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.29 17.48 38.9 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 117.505 -1.719 . . . . 0.0 113.998 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.07 144.62 25.26 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.517 1.659 . . . . 0.0 108.476 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.36 164.59 26.25 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.649 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -33.06 63.34 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 117.813 -1.089 . . . . 1.0 109.781 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.85 29.66 6.82 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.661 0.664 . . . . 0.0 111.826 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -160.01 171.83 18.64 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.463 1.029 . . . . 0.0 108.553 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.667 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -85.18 91.72 8.21 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.999 1.437 . . . . 1.0 107.856 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -90.64 65.3 5.93 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 55.16 61.81 2.76 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.353 0.524 . . . . 0.0 111.864 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 p30 -54.2 172.86 0.08 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -135.66 161.17 36.29 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.82 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.57 129.03 45.1 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 124.298 0.999 . . . . 0.0 109.04 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 t -73.01 150.39 42.46 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 117.967 -1.016 . . . . 0.0 108.526 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -110.68 45.15 1.17 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -60.18 0.36 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.323 -1.362 . . . . 1.0 107.323 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 p -101.64 1.16 37.38 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.178 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.8 t 60.24 40.31 18.09 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.895 1.225 . . . . 0.0 113.295 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -119.91 147.47 44.68 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.12 155.29 31.97 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.899 169.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.77 148.03 26.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.169 0.895 . . . . 0.0 110.969 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.07 160.11 10.59 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.962 -172.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -76.42 -53.82 7.61 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 118.11 -0.948 . . . . 1.0 112.166 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.98 -36.24 5.4 Favored 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 119.597 -0.841 . . . . 1.0 109.978 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -67.8 110.39 3.78 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 118.883 -1.127 . . . . 1.0 107.963 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.25 -38.45 91.08 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -94.04 161.08 14.43 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.07 153.7 42.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -104.15 46.55 0.91 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -150.68 -60.33 0.19 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.757 -1.201 . . . . 1.0 107.757 172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.26 6.54 30.78 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.66 -1.162 . . . . 0.0 113.638 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 6.18 38.98 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 121.091 1.769 . . . . 0.0 115.163 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.71 126.89 31.83 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.431 2.115 . . . . 0.0 111.095 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.47 159.37 10.46 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.895 0.771 . . . . 0.0 111.763 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -40.84 -46.46 2.73 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.448 172.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.28 54.14 0.89 Allowed 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.07 161.42 30.16 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.384 -0.927 . . . . 0.0 109.765 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.387 -0.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.558 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -96.97 85.84 3.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 124.962 1.413 . . . . 1.0 108.288 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -94.52 66.75 3.32 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.34 73.89 10.48 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -48.67 161.26 0.14 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-O 118.082 -0.961 . . . . 0.0 113.254 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -136.98 158.16 45.09 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.242 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -97.11 133.34 41.89 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.474 1.109 . . . . 0.0 108.203 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 t -68.4 156.6 37.51 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 118.893 -1.123 . . . . 0.0 108.822 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.6 38.05 1.89 Allowed 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -143.8 -60.87 0.4 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.352 -1.309 . . . . 1.0 107.719 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.18 16.3 21.09 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 119.512 1.051 . . . . 0.0 113.364 173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 m 48.01 43.32 17.85 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 119.991 1.268 . . . . 0.0 114.369 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -104.6 136.22 44.55 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.566 176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.45 123.22 32.15 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.742 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -136.11 157.15 47.53 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 119.223 0.919 . . . . 0.0 110.454 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -57.92 160.34 4.77 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.94 -45.56 63.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.205 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -43.26 -47.81 6.59 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.059 0.849 . . . . 1.0 110.589 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.48 119.96 7.42 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 118.828 -1.149 . . . . 1.0 108.173 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 tp -75.22 -32.55 61.18 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.599 -1.667 . . . . 0.0 109.006 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -109.38 163.77 13.1 Favored 'General case' 0 C--N 1.36 1.062 0 CA-C-N 119.929 1.24 . . . . 1.0 111.165 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.9 t -63.21 152.36 37.79 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.322 0.965 . . . . 0.0 109.022 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -100.38 51.6 0.89 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -155.51 -61.97 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-O 117.144 -1.408 . . . . 1.0 109.0 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.25 11.16 31.44 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-N 119.62 1.1 . . . . 0.0 112.953 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.92 16.7 48.38 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 116.58 -2.233 . . . . 0.0 115.611 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.39 138.17 36.85 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.416 2.108 . . . . 0.0 108.855 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.11 152.55 45.33 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.7 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -54.05 -27.97 35.69 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.002 -1.475 . . . . 1.0 110.986 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.55 34.23 5.15 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 119.761 1.164 . . . . 0.0 109.539 -173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 -44.61 8.55 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 120.506 -0.478 . . . . 0.0 109.771 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 120.747 -1.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -77.11 88.9 3.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 O-C-N 125.028 1.455 . . . . 1.0 108.328 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -83.35 67.52 9.31 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 119.196 -1.002 . . . . 0.0 109.743 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.36 93.86 6.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 118.609 0.64 . . . . 0.0 110.471 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -44.23 160.33 0.03 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -132.61 155.96 47.77 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.302 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.08 138.94 31.21 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.66 158.98 33.71 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.966 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.29 35.1 3.17 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 175.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.96 -63.11 0.38 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 107.126 -1.435 . . . . 1.0 107.126 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.55 15.46 24.76 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 m 47.87 36.13 5.64 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 174.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 13' ' ' ASN . 8.1 tt -97.42 149.41 22.17 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.924 0.784 . . . . 0.0 109.177 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' N ' HD23 ' A' ' 12' ' ' LEU . 27.8 t-20 -86.2 89.86 7.97 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -85.1 154.89 21.75 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.134 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.53 163.28 11.33 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.766 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -67.48 -53.77 25.92 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 119.848 -0.741 . . . . 1.0 109.968 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -31.08 45.27 Favored 'General case' 0 CA--C 1.506 -0.731 0 C-N-CA 119.444 -0.902 . . . . 1.0 109.116 -174.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.268 -0.973 . . . . 1.0 108.507 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.54 -31.32 69.3 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.904 166.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -125.21 159.48 31.47 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.906 1.23 . . . . 1.0 112.933 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.33 156.73 31.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.587 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.55 41.3 1.25 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -159.29 -57.53 0.06 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.441 -1.266 . . . . 1.0 110.038 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.97 18.28 19.64 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 119.504 1.047 . . . . 0.0 112.609 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.95 20.01 0.14 Allowed Glycine 0 C--N 1.352 1.434 0 CA-C-O 116.823 -2.098 . . . . 0.0 117.348 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.33 129.6 34.86 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.085 2.442 . . . . 0.0 107.619 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.53 148.29 45.14 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.696 -1.202 . . . . 0.0 108.295 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -56.53 -26.5 54.92 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.07 -1.443 . . . . 1.0 111.898 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.36 20.89 16.3 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.733 1.151 . . . . 0.0 110.344 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.7 47.38 0.23 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.089 1.313 . . . . 0.0 110.755 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 O-C-N 121.396 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . 0.435 ' H5 ' HD21 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.523 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -90.01 83.55 6.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 125.031 1.457 . . . . 1.0 108.528 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -92.41 56.47 2.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 72.04 124.0 0.03 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.996 -0.526 . . . . 0.0 112.061 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.56 177.18 2.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.961 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -140.55 160.78 39.25 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.276 0.944 . . . . 0.0 110.461 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.63 126.75 52.95 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 124.423 1.077 . . . . 0.0 109.082 -175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -72.37 130.19 40.15 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.144 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -1.8 57.98 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.412 1.005 . . . . 0.0 111.658 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -88.64 -49.18 7.03 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.533 -1.284 . . . . 1.0 107.533 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.64 5.48 15.4 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.135 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 58.55 45.74 15.85 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.897 1.681 . . . . 0.0 113.687 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -132.68 148.79 52.35 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -89.03 150.06 22.95 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.012 0.824 . . . . 0.0 112.06 -171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.51 143.82 31.71 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.146 -1.407 . . . . 0.0 108.895 -171.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -63.39 161.87 13.42 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.51 1.504 . . . . 0.0 110.492 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -49.89 54.89 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 118.431 -0.795 . . . . 1.0 111.146 -176.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.34 -33.89 1.11 Allowed 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.295 -0.86 . . . . 1.0 112.015 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.77 107.39 9.05 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 106.971 -1.492 . . . . 1.0 106.971 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.57 -7.26 18.98 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.882 -1.533 . . . . 0.0 112.275 171.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -138.95 160.79 38.9 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 120.759 1.618 . . . . 1.0 110.706 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.84 146.9 49.38 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 117.614 -1.184 . . . . 0.0 108.564 -170.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -101.58 33.99 2.77 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.97 0.794 . . . . 0.0 110.174 177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -66.45 0.47 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 107.455 -1.313 . . . . 1.0 107.455 174.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.4 p -81.34 -8.56 59.76 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.906 1.23 . . . . 0.0 113.238 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.64 5.2 59.98 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 117.38 -1.789 . . . . 0.0 114.137 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.77 149.62 22.64 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 119.978 1.889 . . . . 0.0 109.172 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.26 161.39 30.59 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.492 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -54.75 -31.44 58.54 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.455 -1.26 . . . . 1.0 111.023 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 42.28 1.3 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.993 0.815 . . . . 0.0 110.85 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.06 -61.49 0.12 Allowed 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.7 0 O-C-N 120.915 -1.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.711 ' O ' ' CB ' ' A' ' 1' ' ' LYS . . . . . . . . 0 C--O 1.24 0.568 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 0' ' ' ACE . 19.9 ttmt 123.95 108.82 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -110.17 49.08 0.86 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.5 78.88 1.93 Allowed 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -54.98 167.82 0.36 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.803 -0.617 . . . . 0.0 112.184 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -136.47 172.65 12.69 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 117.786 -1.102 . . . . 0.0 108.346 -176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -131.27 106.58 8.39 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -51.1 126.86 17.58 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.253 -0.879 . . . . 0.0 109.86 -175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -5.91 59.29 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.191 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.63 -47.8 8.01 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.637 -1.173 . . . . 1.0 108.678 -177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -110.1 1.4 18.82 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 t 61.14 50.15 5.13 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 120.137 1.335 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.4 tm? -128.19 142.87 51.05 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.4 t30 -84.86 119.45 25.35 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.09 -174.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.04 154.97 25.68 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.872 -172.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -73.93 160.74 30.94 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 120.299 1.409 . . . . 0.0 110.515 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -64.84 -44.56 89.37 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -47.73 -35.04 9.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 120.148 -0.621 . . . . 1.0 110.839 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -80.0 117.11 20.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.723 -1.132 . . . . 1.0 109.485 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.73 -13.24 61.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 116.432 -1.747 . . . . 0.0 111.21 169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -130.78 158.79 39.17 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 121.031 1.741 . . . . 1.0 110.174 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.85 141.06 51.28 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.532 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -100.38 35.6 2.07 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 123.775 0.672 . . . . 0.0 110.528 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -138.59 -64.85 0.51 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.442 -1.688 . . . . 1.0 106.442 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.35 -15.69 39.69 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 117.175 -1.393 . . . . 0.0 113.516 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.57 -33.37 4.61 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-N 121.085 1.766 . . . . 0.0 113.334 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.8 156.95 3.34 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 119.561 1.681 . . . . 0.0 111.997 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -81.07 168.14 18.96 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.372 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -55.98 -35.69 67.02 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.009 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.58 29.6 5.6 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.27 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.5 t0 71.55 -65.53 0.34 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.748 0.704 . . . . 0.0 111.247 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.605 -1.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.562 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -87.09 77.6 9.09 Favored 'General case' 0 CA--C 1.51 -0.583 0 O-C-N 125.056 1.472 . . . . 1.0 107.39 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -109.58 38.43 2.35 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.16 91.28 0.46 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -175.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 174.99 14.41 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.401 1.0 . . . . 0.0 111.387 -173.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -161.52 147.76 14.13 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.199 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.5 135.67 33.25 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.417 -0.801 . . . . 0.0 108.906 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 157.85 37.46 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -108.58 44.11 1.16 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -152.24 -57.88 0.14 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.35 8.25 17.92 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 172.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 m 53.57 35.09 20.02 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.684 1.584 . . . . 0.0 114.232 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 13' ' ' ASN . 2.9 tm? -104.02 142.04 35.14 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HD13 ' A' ' 12' ' ' LEU . 63.9 t30 -84.19 115.45 22.43 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.675 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -115.56 160.4 20.02 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.31 1.414 . . . . 0.0 109.556 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -67.27 150.5 48.96 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.227 -0.989 . . . . 0.0 111.378 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -42.09 93.49 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 118.51 -0.757 . . . . 1.0 109.957 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -48.55 -43.83 35.96 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 119.193 -1.003 . . . . 1.0 108.321 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -71.69 104.46 3.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 118.739 -1.185 . . . . 1.0 109.19 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.32 -32.55 71.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.946 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -97.9 154.92 17.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.885 0.766 . . . . 1.0 111.539 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.37 131.81 42.29 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -81.29 -6.23 58.67 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.229 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -106.64 -58.79 1.88 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.567 -1.206 . . . . 1.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -85.48 -14.74 45.1 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.889 -1.529 . . . . 0.0 111.897 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 -48.84 2.77 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 120.89 1.677 . . . . 0.0 110.972 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.62 150.6 1.35 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.09 172.99 11.86 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.845 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -60.8 -35.64 77.0 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 118.105 -0.95 . . . . 1.0 109.718 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.08 43.84 1.31 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.99 142.29 27.76 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.691 0 O-C-N 120.898 -1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.541 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -80.2 96.37 6.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 125.005 1.441 . . . . 1.0 107.558 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.23 47.01 1.08 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -150.56 173.54 13.98 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.42 166.94 0.54 Allowed 'General case' 0 C--N 1.35 0.596 0 O-C-N 124.213 0.946 . . . . 0.0 110.556 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -140.73 153.69 46.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.484 -176.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -93.24 131.41 38.38 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.97 153.35 43.92 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.269 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.2 32.3 3.83 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -140.02 -59.42 0.55 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 107.442 -1.318 . . . . 1.0 107.442 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -109.15 9.31 26.14 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 172.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.36 20.83 9.1 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 173.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.41 132.43 40.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.707 1.139 . . . . 0.0 108.848 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -68.46 124.85 24.67 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.088 -1.434 . . . . 0.0 113.09 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -120.68 150.06 41.52 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.897 1.226 . . . . 0.0 110.656 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -56.56 161.53 2.66 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.466 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.01 64.05 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.765 -0.774 . . . . 1.0 110.123 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.43 -40.14 49.45 Favored 'General case' 0 CA--C 1.505 -0.765 0 O-C-N 123.846 0.716 . . . . 1.0 109.885 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.99 107.01 1.14 Allowed 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 107.866 -1.161 . . . . 1.0 107.866 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.87 63.58 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.633 -1.651 . . . . 0.0 110.135 173.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.9 164.52 14.01 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.066 1.303 . . . . 1.0 110.998 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -70.45 157.35 37.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -108.07 49.01 0.82 Allowed 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -156.86 -64.99 0.1 Allowed 'General case' 0 C--N 1.351 0.637 0 N-CA-C 107.206 -1.405 . . . . 1.0 107.206 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.7 p -102.72 5.31 38.86 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.81 12.7 29.43 Favored Glycine 0 C--N 1.352 1.453 0 CA-C-O 117.144 -1.92 . . . . 0.0 114.863 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 143.8 45.51 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 120.626 2.213 . . . . 0.0 108.129 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -81.06 166.06 21.08 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 117.917 -1.039 . . . . 0.0 108.572 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -45.45 -40.88 8.76 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.707 -1.139 . . . . 1.0 110.898 172.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.8 37.73 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.905 0.775 . . . . 0.0 110.446 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 -63.5 0.42 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.221 0.464 . . . . 0.0 111.739 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.703 0 O-C-N 120.249 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' AQN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_