data_2znf_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 2znf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 1 C--O 1.152 -4.05 0 CA-C-O 122.082 0.944 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 1 C--O 1.153 -4.001 0 CA-C-O 122.19 0.995 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.153 -3.991 0 CA-C-O 122.125 0.964 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t . . . . . 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 1 C--O 1.148 -4.267 0 CA-C-O 121.626 0.727 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.154 -3.93 0 CA-C-O 122.284 1.04 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 1 C--O 1.147 -4.342 0 CA-C-O 121.454 0.645 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 1 C--O 1.152 -4.03 0 CA-C-O 122.062 0.935 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.154 -3.932 0 CA-C-O 121.971 0.891 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 1 C--O 1.151 -4.085 0 CA-C-O 121.791 0.805 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 1 C--O 1.151 -4.108 0 CA-C-O 121.46 0.648 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.292 40.7 t . . . . . 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 1 C--O 1.151 -4.119 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t . . . . . 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 1 C--O 1.152 -4.051 0 CA-C-O 122.109 0.957 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 1 C--O 1.151 -4.09 0 CA-C-O 121.939 0.875 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 1 C--O 1.153 -4.011 0 CA-C-O 121.664 0.745 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 1 C--O 1.15 -4.16 0 CA-C-O 122.299 1.047 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 1 C--O 1.149 -4.206 0 CA-C-O 121.507 0.67 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 1 C--O 1.151 -4.116 0 CA-C-O 121.775 0.797 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 85.3 146.09 0.06 Allowed 'General case' 1 C--O 1.148 -4.252 0 C-N-CA 128.245 2.618 . . . . 0.0 112.042 -173.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t -77.37 108.24 10.37 Favored 'General case' 1 C--O 1.152 -4.05 0 C-N-CA 126.376 1.87 . . . . 0.0 110.554 -162.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -27.72 145.22 0.01 OUTLIER 'General case' 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 46.55 0.91 Allowed 'General case' 1 C--O 1.15 -4.147 0 C-N-CA 126.662 1.985 . . . . 0.0 111.001 -173.079 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.835 0 C-N-CA 126.795 2.038 . . . . 0.0 110.177 -174.582 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 1 C--O 1.151 -4.118 0 CA-C-O 122.204 1.002 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 145.29 22.73 Favored 'General case' 1 C--O 1.148 -4.284 0 C-N-CA 127.08 2.152 . . . . 0.0 110.727 -169.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t -85.98 106.85 17.45 Favored 'General case' 1 C--O 1.153 -4.001 0 C-N-CA 126.146 1.778 . . . . 0.0 110.826 -158.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t -32.13 146.92 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -91.21 69.47 6.1 Favored 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.696 1.998 . . . . 0.0 110.815 169.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 C-N-CA 126.756 2.022 . . . . 0.0 110.13 174.645 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 1 C--O 1.151 -4.12 0 CA-C-O 121.881 0.848 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.26 146.28 0.09 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 127.27 2.228 . . . . 0.0 111.705 -179.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t -85.63 108.77 18.15 Favored 'General case' 0 C--O 1.153 -3.991 0 C-N-CA 126.242 1.817 . . . . 0.0 110.861 -164.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t -32.15 148.38 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 70.78 2.84 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.785 2.034 . . . . 0.0 110.848 171.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.975 0 C-N-CA 126.814 2.046 . . . . 0.0 110.178 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 1 C--O 1.149 -4.221 0 CA-C-O 122.009 0.909 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -53.26 102.21 0.05 Allowed 'General case' 0 C--O 1.153 -3.993 0 C-N-CA 126.555 1.942 . . . . 0.0 110.871 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.18 96.25 0.01 OUTLIER 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.377 1.871 . . . . 0.0 109.73 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t -32.13 146.62 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -90.95 64.33 5.4 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 126.681 1.993 . . . . 0.0 110.833 172.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 C-N-CA 126.805 2.042 . . . . 0.0 110.122 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 1' ' ' VAL . 7.3 p . . . . . 1 C--O 1.149 -4.212 0 CA-C-O 122.272 1.034 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.34 141.86 22.58 Favored 'General case' 1 C--O 1.151 -4.129 0 C-N-CA 126.56 1.944 . . . . 0.0 110.62 -170.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.14 95.78 0.42 Allowed 'General case' 0 C--O 1.154 -3.93 0 C-N-CA 126.059 1.744 . . . . 0.0 110.672 -163.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -38.16 155.99 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.78 78.24 6.15 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.205 1.802 . . . . 0.0 110.856 163.68 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.292 -1.925 0 C-N-CA 126.866 2.066 . . . . 0.0 110.095 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 1 C--O 1.15 -4.144 0 CA-C-O 122.085 0.945 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.29 100.54 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.013 0 C-N-CA 126.718 2.007 . . . . 0.0 110.664 164.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.94 95.39 0.01 OUTLIER 'General case' 1 C--O 1.147 -4.342 0 C-N-CA 126.566 1.946 . . . . 0.0 109.522 172.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.526 ' SG ' ' HB1' ' A' ' 18' ' ' ALA . 12.3 t -29.54 134.46 0.04 OUTLIER 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -97.51 84.37 3.41 Favored 'General case' 1 C--O 1.15 -4.138 0 C-N-CA 126.426 1.89 . . . . 0.0 110.517 164.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . 0 C--N 1.292 -1.901 0 C-N-CA 126.712 2.005 . . . . 0.0 110.148 -167.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.832 HG23 ' CE ' ' A' ' 2' ' ' LYS . 7.6 p . . . . . 1 C--O 1.153 -4.024 0 CA-C-O 122.771 1.272 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.832 ' CE ' HG23 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -175.21 126.1 0.26 Allowed 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 126.072 1.749 . . . . 0.0 110.578 155.293 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.54 97.36 2.1 Favored 'General case' 1 C--O 1.152 -4.03 0 C-N-CA 126.57 1.948 . . . . 0.0 110.543 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -29.78 -51.92 0.13 Allowed 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 70.78 79.74 0.17 Allowed 'General case' 1 C--O 1.151 -4.083 0 C-N-CA 126.686 1.994 . . . . 0.0 110.654 -172.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.979 0 C-N-CA 126.608 1.963 . . . . 0.0 110.159 -171.251 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 1 C--O 1.149 -4.186 0 CA-C-O 122.327 1.06 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.06 138.2 0.03 OUTLIER 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.946 2.098 . . . . 0.0 111.553 163.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.09 99.97 6.35 Favored 'General case' 0 C--O 1.154 -3.932 0 C-N-CA 126.377 1.871 . . . . 0.0 110.659 -164.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t -31.47 148.76 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 92.57 7.02 Favored 'General case' 1 C--O 1.148 -4.25 0 C-N-CA 126.284 1.833 . . . . 0.0 110.335 167.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.956 0 C-N-CA 126.625 1.97 . . . . 0.0 110.075 -173.094 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 1 C--O 1.15 -4.143 0 CA-C-O 122.174 0.987 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttp 81.84 108.51 0.07 Allowed 'General case' 1 C--O 1.15 -4.167 0 C-N-CA 126.278 1.831 . . . . 0.0 109.925 166.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t -49.69 122.86 6.92 Favored 'General case' 1 C--O 1.151 -4.085 0 C-N-CA 126.361 1.864 . . . . 0.0 109.865 162.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -24.7 147.91 0.0 OUTLIER 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -96.54 72.35 2.71 Favored 'General case' 1 C--O 1.151 -4.089 0 C-N-CA 126.625 1.97 . . . . 0.0 110.848 166.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.924 0 C-N-CA 126.65 1.98 . . . . 0.0 110.124 169.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.872 HG21 ' HA ' ' A' ' 9' ' ' GLU . 1.4 m . . . . . 1 C--O 1.153 -4.022 0 CA-C-O 122.105 0.955 . . . . 0.0 111.534 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.586 ' H ' HG21 ' A' ' 1' ' ' VAL . 0.0 OUTLIER 39.8 90.07 0.01 OUTLIER 'General case' 0 C--O 1.154 -3.973 0 C-N-CA 128.507 2.723 . . . . 0.0 113.613 167.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.15 115.89 1.0 Allowed 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 126.221 1.809 . . . . 0.0 109.364 163.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.872 ' HA ' HG21 ' A' ' 1' ' ' VAL . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.292 40.7 t -22.73 -97.32 0.0 OUTLIER 'General case' 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . 0.421 4.3 ttm-85 160.85 -4.31 0.0 OUTLIER 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 130.718 3.607 . . . . 0.0 113.221 156.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.229 0 C-N-CA 127.171 2.189 . . . . 0.0 109.892 157.105 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 1' ' ' VAL . 7.6 p . . . . . 1 C--O 1.151 -4.084 0 CA-C-O 122.099 0.952 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -173.93 148.5 1.41 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.535 1.934 . . . . 0.0 111.526 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -50.57 119.93 4.23 Favored 'General case' 1 C--O 1.151 -4.119 0 C-N-CA 126.282 1.833 . . . . 0.0 109.14 161.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -29.58 -67.07 0.09 Allowed 'General case' 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 72.21 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 126.962 2.105 . . . . 0.0 110.805 177.111 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.856 0 C-N-CA 126.728 2.011 . . . . 0.0 110.03 -170.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 1' ' ' VAL . 32.6 m . . . . . 1 C--O 1.149 -4.199 0 CA-C-O 122.095 0.95 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.57 142.85 8.22 Favored 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.405 1.882 . . . . 0.0 111.195 -168.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -67.35 124.38 23.0 Favored 'General case' 1 C--O 1.152 -4.051 0 C-N-CA 127.019 2.128 . . . . 0.0 110.735 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t -27.15 137.74 0.02 OUTLIER 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 24.38 8.05 Favored 'General case' 0 C--O 1.156 -3.849 0 C-N-CA 126.529 1.932 . . . . 0.0 111.953 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 126.569 1.948 . . . . 0.0 110.16 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 1 C--O 1.152 -4.04 0 CA-C-O 122.013 0.911 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.85 154.56 0.11 Allowed 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 126.541 1.936 . . . . 0.0 111.257 162.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.24 127.2 30.94 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.609 1.964 . . . . 0.0 110.275 170.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -26.79 147.92 0.0 OUTLIER 'General case' 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -91.03 70.29 6.32 Favored 'General case' 1 C--O 1.151 -4.095 0 C-N-CA 126.95 2.1 . . . . 0.0 110.929 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.933 0 C-N-CA 126.621 1.969 . . . . 0.0 110.185 172.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.154 -3.935 0 CA-C-O 121.878 0.847 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.18 144.55 0.33 Allowed 'General case' 1 C--O 1.15 -4.174 0 C-N-CA 126.587 1.955 . . . . 0.0 110.976 168.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.56 108.43 1.14 Allowed 'General case' 1 C--O 1.153 -4.011 0 C-N-CA 126.371 1.868 . . . . 0.0 110.23 -169.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -28.93 -76.06 0.02 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.71 86.74 0.1 Allowed 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 126.734 2.014 . . . . 0.0 110.689 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.971 0 C-N-CA 126.479 1.912 . . . . 0.0 110.317 -170.048 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 1' ' ' VAL . 33.4 m . . . . . 1 C--O 1.151 -4.109 0 CA-C-O 122.307 1.051 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 164.66 132.92 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 126.197 1.799 . . . . 0.0 110.859 -164.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.12 100.2 0.03 OUTLIER 'General case' 1 C--O 1.15 -4.16 0 C-N-CA 126.42 1.888 . . . . 0.0 110.14 159.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t -31.87 151.77 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -131.86 83.4 2.09 Favored 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.579 1.952 . . . . 0.0 111.625 163.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 C-N-CA 126.852 2.061 . . . . 0.0 110.072 165.402 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 1 C--O 1.151 -4.102 0 CA-C-O 122.363 1.078 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 145.99 30.69 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.202 1.801 . . . . 0.0 110.974 -162.718 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t -48.31 104.49 0.06 Allowed 'General case' 1 C--O 1.149 -4.206 0 C-N-CA 126.433 1.893 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -27.43 139.45 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -96.37 32.29 2.03 Favored 'General case' 0 C--O 1.155 -3.89 0 C-N-CA 126.386 1.874 . . . . 0.0 112.141 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 127.323 2.249 . . . . 0.0 109.762 167.265 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 1 C--O 1.152 -4.05 0 CA-C-O 122.082 0.944 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 1 C--O 1.153 -4.001 0 CA-C-O 122.19 0.995 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.153 -3.991 0 CA-C-O 122.125 0.964 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t . . . . . 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 1 C--O 1.148 -4.267 0 CA-C-O 121.626 0.727 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.154 -3.93 0 CA-C-O 122.284 1.04 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 1 C--O 1.147 -4.342 0 CA-C-O 121.454 0.645 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 1 C--O 1.152 -4.03 0 CA-C-O 122.062 0.935 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.154 -3.932 0 CA-C-O 121.971 0.891 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 1 C--O 1.151 -4.085 0 CA-C-O 121.791 0.805 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 14' ' ' ARG . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CD ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 1 C--O 1.151 -4.108 0 CA-C-O 121.46 0.648 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.292 40.7 t . . . . . 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 1 C--O 1.151 -4.119 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t . . . . . 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 1 C--O 1.152 -4.051 0 CA-C-O 122.109 0.957 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 1 C--O 1.151 -4.09 0 CA-C-O 121.939 0.875 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 1 C--O 1.153 -4.011 0 CA-C-O 121.664 0.745 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 1 C--O 1.15 -4.16 0 CA-C-O 122.299 1.047 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 1 C--O 1.149 -4.206 0 CA-C-O 121.507 0.67 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 1' ' ' VAL . 6.8 p . . . . . 1 C--O 1.151 -4.116 0 CA-C-O 121.775 0.797 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 85.3 146.09 0.06 Allowed 'General case' 1 C--O 1.148 -4.252 0 C-N-CA 128.245 2.618 . . . . 0.0 112.042 -173.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t -77.37 108.24 10.37 Favored 'General case' 1 C--O 1.152 -4.05 0 C-N-CA 126.376 1.87 . . . . 0.0 110.554 -162.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -27.72 145.22 0.01 OUTLIER 'General case' 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 46.55 0.91 Allowed 'General case' 1 C--O 1.15 -4.147 0 C-N-CA 126.662 1.985 . . . . 0.0 111.001 -173.079 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.835 0 C-N-CA 126.795 2.038 . . . . 0.0 110.177 -174.582 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 1 C--O 1.151 -4.118 0 CA-C-O 122.204 1.002 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 145.29 22.73 Favored 'General case' 1 C--O 1.148 -4.284 0 C-N-CA 127.08 2.152 . . . . 0.0 110.727 -169.536 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t -85.98 106.85 17.45 Favored 'General case' 1 C--O 1.153 -4.001 0 C-N-CA 126.146 1.778 . . . . 0.0 110.826 -158.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t -32.13 146.92 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -91.21 69.47 6.1 Favored 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.696 1.998 . . . . 0.0 110.815 169.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 C-N-CA 126.756 2.022 . . . . 0.0 110.13 174.645 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 1 C--O 1.151 -4.12 0 CA-C-O 121.881 0.848 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.26 146.28 0.09 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 127.27 2.228 . . . . 0.0 111.705 -179.177 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t -85.63 108.77 18.15 Favored 'General case' 0 C--O 1.153 -3.991 0 C-N-CA 126.242 1.817 . . . . 0.0 110.861 -164.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t -32.15 148.38 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 70.78 2.84 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.785 2.034 . . . . 0.0 110.848 171.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.975 0 C-N-CA 126.814 2.046 . . . . 0.0 110.178 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 1 C--O 1.149 -4.221 0 CA-C-O 122.009 0.909 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -53.26 102.21 0.05 Allowed 'General case' 0 C--O 1.153 -3.993 0 C-N-CA 126.555 1.942 . . . . 0.0 110.871 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.18 96.25 0.01 OUTLIER 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.377 1.871 . . . . 0.0 109.73 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t -32.13 146.62 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -90.95 64.33 5.4 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 126.681 1.993 . . . . 0.0 110.833 172.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 C-N-CA 126.805 2.042 . . . . 0.0 110.122 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 1' ' ' VAL . 7.3 p . . . . . 1 C--O 1.149 -4.212 0 CA-C-O 122.272 1.034 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.34 141.86 22.58 Favored 'General case' 1 C--O 1.151 -4.129 0 C-N-CA 126.56 1.944 . . . . 0.0 110.62 -170.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.14 95.78 0.42 Allowed 'General case' 0 C--O 1.154 -3.93 0 C-N-CA 126.059 1.744 . . . . 0.0 110.672 -163.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -38.16 155.99 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.78 78.24 6.15 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.205 1.802 . . . . 0.0 110.856 163.68 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.292 -1.925 0 C-N-CA 126.866 2.066 . . . . 0.0 110.095 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 1 C--O 1.15 -4.144 0 CA-C-O 122.085 0.945 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.29 100.54 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.013 0 C-N-CA 126.718 2.007 . . . . 0.0 110.664 164.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.94 95.39 0.01 OUTLIER 'General case' 1 C--O 1.147 -4.342 0 C-N-CA 126.566 1.946 . . . . 0.0 109.522 172.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 12.3 t -29.54 134.46 0.04 OUTLIER 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -97.51 84.37 3.41 Favored 'General case' 1 C--O 1.15 -4.138 0 C-N-CA 126.426 1.89 . . . . 0.0 110.517 164.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . 0 C--N 1.292 -1.901 0 C-N-CA 126.712 2.005 . . . . 0.0 110.148 -167.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.789 HG22 ' CE ' ' A' ' 2' ' ' LYS . 7.6 p . . . . . 1 C--O 1.153 -4.024 0 CA-C-O 122.771 1.272 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.789 ' CE ' HG22 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -175.21 126.1 0.26 Allowed 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 126.072 1.749 . . . . 0.0 110.578 155.293 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.54 97.36 2.1 Favored 'General case' 1 C--O 1.152 -4.03 0 C-N-CA 126.57 1.948 . . . . 0.0 110.543 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -29.78 -51.92 0.13 Allowed 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 70.78 79.74 0.17 Allowed 'General case' 1 C--O 1.151 -4.083 0 C-N-CA 126.686 1.994 . . . . 0.0 110.654 -172.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.979 0 C-N-CA 126.608 1.963 . . . . 0.0 110.159 -171.251 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 1 C--O 1.149 -4.186 0 CA-C-O 122.327 1.06 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.06 138.2 0.03 OUTLIER 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.946 2.098 . . . . 0.0 111.553 163.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.09 99.97 6.35 Favored 'General case' 0 C--O 1.154 -3.932 0 C-N-CA 126.377 1.871 . . . . 0.0 110.659 -164.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t -31.47 148.76 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 92.57 7.02 Favored 'General case' 1 C--O 1.148 -4.25 0 C-N-CA 126.284 1.833 . . . . 0.0 110.335 167.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.956 0 C-N-CA 126.625 1.97 . . . . 0.0 110.075 -173.094 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 1 C--O 1.15 -4.143 0 CA-C-O 122.174 0.987 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttp 81.84 108.51 0.07 Allowed 'General case' 1 C--O 1.15 -4.167 0 C-N-CA 126.278 1.831 . . . . 0.0 109.925 166.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t -49.69 122.86 6.92 Favored 'General case' 1 C--O 1.151 -4.085 0 C-N-CA 126.361 1.864 . . . . 0.0 109.865 162.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 14' ' ' ARG . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CD ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -24.7 147.91 0.0 OUTLIER 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -96.54 72.35 2.71 Favored 'General case' 1 C--O 1.151 -4.089 0 C-N-CA 126.625 1.97 . . . . 0.0 110.848 166.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.924 0 C-N-CA 126.65 1.98 . . . . 0.0 110.124 169.793 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.953 HG23 ' HA ' ' A' ' 9' ' ' GLU . 1.4 m . . . . . 1 C--O 1.153 -4.022 0 CA-C-O 122.105 0.955 . . . . 0.0 111.534 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HG23 ' A' ' 1' ' ' VAL . 0.0 OUTLIER 39.8 90.07 0.01 OUTLIER 'General case' 0 C--O 1.154 -3.973 0 C-N-CA 128.507 2.723 . . . . 0.0 113.613 167.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.15 115.89 1.0 Allowed 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 126.221 1.809 . . . . 0.0 109.364 163.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.953 ' HA ' HG23 ' A' ' 1' ' ' VAL . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 17' ' ' ARG 0.292 40.7 t -22.73 -97.32 0.0 OUTLIER 'General case' 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' CYS 0.421 4.3 ttm-85 160.85 -4.31 0.0 OUTLIER 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 130.718 3.607 . . . . 0.0 113.221 156.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.229 0 C-N-CA 127.171 2.189 . . . . 0.0 109.892 157.105 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 1' ' ' VAL . 7.6 p . . . . . 1 C--O 1.151 -4.084 0 CA-C-O 122.099 0.952 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -173.93 148.5 1.41 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.535 1.934 . . . . 0.0 111.526 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -50.57 119.93 4.23 Favored 'General case' 1 C--O 1.151 -4.119 0 C-N-CA 126.282 1.833 . . . . 0.0 109.14 161.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -29.58 -67.07 0.09 Allowed 'General case' 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 72.21 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 126.962 2.105 . . . . 0.0 110.805 177.111 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.856 0 C-N-CA 126.728 2.011 . . . . 0.0 110.03 -170.776 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 1' ' ' VAL . 32.6 m . . . . . 1 C--O 1.149 -4.199 0 CA-C-O 122.095 0.95 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.57 142.85 8.22 Favored 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.405 1.882 . . . . 0.0 111.195 -168.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -67.35 124.38 23.0 Favored 'General case' 1 C--O 1.152 -4.051 0 C-N-CA 127.019 2.128 . . . . 0.0 110.735 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t -27.15 137.74 0.02 OUTLIER 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 24.38 8.05 Favored 'General case' 0 C--O 1.156 -3.849 0 C-N-CA 126.529 1.932 . . . . 0.0 111.953 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 126.569 1.948 . . . . 0.0 110.16 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 1 C--O 1.152 -4.04 0 CA-C-O 122.013 0.911 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.85 154.56 0.11 Allowed 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 126.541 1.936 . . . . 0.0 111.257 162.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.24 127.2 30.94 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.609 1.964 . . . . 0.0 110.275 170.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -26.79 147.92 0.0 OUTLIER 'General case' 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -91.03 70.29 6.32 Favored 'General case' 1 C--O 1.151 -4.095 0 C-N-CA 126.95 2.1 . . . . 0.0 110.929 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.933 0 C-N-CA 126.621 1.969 . . . . 0.0 110.185 172.848 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.154 -3.935 0 CA-C-O 121.878 0.847 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.18 144.55 0.33 Allowed 'General case' 1 C--O 1.15 -4.174 0 C-N-CA 126.587 1.955 . . . . 0.0 110.976 168.453 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.56 108.43 1.14 Allowed 'General case' 1 C--O 1.153 -4.011 0 C-N-CA 126.371 1.868 . . . . 0.0 110.23 -169.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -28.93 -76.06 0.02 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.71 86.74 0.1 Allowed 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 126.734 2.014 . . . . 0.0 110.689 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.971 0 C-N-CA 126.479 1.912 . . . . 0.0 110.317 -170.048 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 1' ' ' VAL . 33.4 m . . . . . 1 C--O 1.151 -4.109 0 CA-C-O 122.307 1.051 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.66 132.92 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 126.197 1.799 . . . . 0.0 110.859 -164.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.12 100.2 0.03 OUTLIER 'General case' 1 C--O 1.15 -4.16 0 C-N-CA 126.42 1.888 . . . . 0.0 110.14 159.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t -31.87 151.77 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -131.86 83.4 2.09 Favored 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.579 1.952 . . . . 0.0 111.625 163.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 C-N-CA 126.852 2.061 . . . . 0.0 110.072 165.402 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 1 C--O 1.151 -4.102 0 CA-C-O 122.363 1.078 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 145.99 30.69 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.202 1.801 . . . . 0.0 110.974 -162.718 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t -48.31 104.49 0.06 Allowed 'General case' 1 C--O 1.149 -4.206 0 C-N-CA 126.433 1.893 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -27.43 139.45 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -96.37 32.29 2.03 Favored 'General case' 0 C--O 1.155 -3.89 0 C-N-CA 126.386 1.874 . . . . 0.0 112.141 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 127.323 2.249 . . . . 0.0 109.762 167.265 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 1 C--O 1.152 -4.05 0 CA-C-O 122.082 0.944 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t . . . . . 1 C--O 1.153 -4.001 0 CA-C-O 122.19 0.995 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.153 -3.991 0 CA-C-O 122.125 0.964 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t . . . . . 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 1 C--O 1.148 -4.267 0 CA-C-O 121.626 0.727 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.154 -3.93 0 CA-C-O 122.284 1.04 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 1 C--O 1.147 -4.342 0 CA-C-O 121.454 0.645 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 1 C--O 1.152 -4.03 0 CA-C-O 122.062 0.935 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.154 -3.932 0 CA-C-O 121.971 0.891 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 1 C--O 1.151 -4.085 0 CA-C-O 121.791 0.805 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 14' ' ' ARG . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CD ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 1 C--O 1.151 -4.108 0 CA-C-O 121.46 0.648 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.292 40.7 t . . . . . 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 1 C--O 1.151 -4.119 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t . . . . . 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 1 C--O 1.152 -4.051 0 CA-C-O 122.109 0.957 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 1 C--O 1.151 -4.09 0 CA-C-O 121.939 0.875 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 1 C--O 1.153 -4.011 0 CA-C-O 121.664 0.745 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 1 C--O 1.15 -4.16 0 CA-C-O 122.299 1.047 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 1 C--O 1.149 -4.206 0 CA-C-O 121.507 0.67 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 1' ' ' VAL . 6.8 p . . . . . 1 C--O 1.151 -4.116 0 CA-C-O 121.775 0.797 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 85.3 146.09 0.06 Allowed 'General case' 1 C--O 1.148 -4.252 0 C-N-CA 128.245 2.618 . . . . 0.0 112.042 -173.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 t -77.37 108.24 10.37 Favored 'General case' 1 C--O 1.152 -4.05 0 C-N-CA 126.376 1.87 . . . . 0.0 110.554 -162.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -48.47 2.3 Favored 'General case' 0 C--O 1.164 -3.445 0 C-N-CA 128.04 2.536 . . . . 0.0 113.076 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -72.27 -64.06 1.02 Allowed 'General case' 0 C--O 1.16 -3.61 0 C-N-CA 126.778 2.031 . . . . 0.0 109.646 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -106.02 -4.43 20.49 Favored 'General case' 0 C--O 1.164 -3.424 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -152.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.98 -30.55 6.56 Favored Glycine 1 C--O 1.158 -4.613 0 C-N-CA 127.397 2.427 . . . . 0.0 112.962 172.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -76.52 138.05 39.98 Favored 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.354 1.862 . . . . 0.0 112.26 -158.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 89.61 7.48 Favored 'General case' 0 C--O 1.155 -3.919 0 C-N-CA 126.675 1.99 . . . . 0.0 110.938 -164.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.68 -71.72 0.03 OUTLIER Glycine 1 C--O 1.155 -4.823 0 C-N-CA 126.1 1.81 . . . . 0.0 112.094 -161.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -139.91 160.04 40.81 Favored 'General case' 0 C--O 1.153 -3.981 0 C-N-CA 125.991 1.716 . . . . 0.0 110.572 -152.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 pt -81.17 158.1 4.17 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.469 0 C-N-CA 126.537 1.935 . . . . 0.0 111.205 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.48 89.62 Favored 'General case' 1 C--O 1.142 -4.569 0 C-N-CA 127.732 2.413 . . . . 0.0 110.2 -163.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.23 69.17 Favored 'General case' 1 C--O 1.152 -4.037 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.316 -142.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -141.29 28.78 1.84 Allowed 'General case' 0 C--O 1.161 -3.602 0 C-N-CA 126.74 2.016 . . . . 0.0 113.082 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -27.72 145.22 0.01 OUTLIER 'General case' 0 C--O 1.157 -3.802 0 C-N-CA 128.006 2.522 . . . . 0.0 111.589 155.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 46.55 0.91 Allowed 'General case' 1 C--O 1.15 -4.147 0 C-N-CA 126.662 1.985 . . . . 0.0 111.001 -173.079 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.835 0 C-N-CA 126.795 2.038 . . . . 0.0 110.177 -174.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 1 C--O 1.151 -4.118 0 CA-C-O 122.204 1.002 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.24 145.29 22.73 Favored 'General case' 1 C--O 1.148 -4.284 0 C-N-CA 127.08 2.152 . . . . 0.0 110.727 -169.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.0 t -85.98 106.85 17.45 Favored 'General case' 1 C--O 1.153 -4.001 0 C-N-CA 126.146 1.778 . . . . 0.0 110.826 -158.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -34.05 -52.86 0.46 Allowed 'General case' 0 C--O 1.16 -3.609 0 C-N-CA 128.922 2.889 . . . . 0.0 113.398 175.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -73.49 -64.24 1.03 Allowed 'General case' 0 C--O 1.159 -3.659 0 C-N-CA 126.732 2.013 . . . . 0.0 109.716 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.265 0.5 OUTLIER -101.71 -6.07 24.18 Favored 'General case' 0 C--O 1.163 -3.459 0 C-N-CA 126.029 1.732 . . . . 0.0 115.359 -153.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.39 -31.29 5.83 Favored Glycine 1 C--O 1.159 -4.575 0 C-N-CA 127.156 2.313 . . . . 0.0 112.692 173.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 4.0 mmmp? -79.65 116.42 19.83 Favored 'General case' 0 C--O 1.154 -3.929 0 C-N-CA 125.557 1.543 . . . . 0.0 111.41 -154.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -42.32 116.18 0.8 Allowed 'General case' 1 C--O 1.152 -4.068 0 C-N-CA 125.584 1.554 . . . . 0.0 110.317 174.08 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.86 -58.97 0.26 Allowed Glycine 1 C--O 1.157 -4.672 0 C-N-CA 125.883 1.706 . . . . 0.0 112.652 160.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -133.28 158.17 43.61 Favored 'General case' 0 C--O 1.154 -3.922 0 C-N-CA 125.767 1.627 . . . . 0.0 110.882 -150.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -80.62 158.05 4.31 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.446 0 C-N-CA 126.575 1.95 . . . . 0.0 111.518 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -43.44 77.34 Favored 'General case' 1 C--O 1.14 -4.702 0 C-N-CA 128.015 2.526 . . . . 0.0 110.224 -163.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -65.49 -30.17 70.9 Favored 'General case' 1 C--O 1.151 -4.097 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.147 -144.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.68 29.79 1.91 Allowed 'General case' 0 C--O 1.159 -3.685 0 C-N-CA 126.955 2.102 . . . . 0.0 112.129 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 t -32.13 146.92 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.021 0 C-N-CA 128.469 2.708 . . . . 0.0 111.559 157.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -91.21 69.47 6.1 Favored 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.696 1.998 . . . . 0.0 110.815 169.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 C-N-CA 126.756 2.022 . . . . 0.0 110.13 174.645 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 1 C--O 1.151 -4.12 0 CA-C-O 121.881 0.848 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.26 146.28 0.09 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 127.27 2.228 . . . . 0.0 111.705 -179.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 t -85.63 108.77 18.15 Favored 'General case' 0 C--O 1.153 -3.991 0 C-N-CA 126.242 1.817 . . . . 0.0 110.861 -164.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -33.93 -54.86 0.48 Allowed 'General case' 0 C--O 1.162 -3.537 0 C-N-CA 128.694 2.797 . . . . 0.0 113.261 173.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -71.63 -61.38 1.8 Allowed 'General case' 0 C--O 1.157 -3.778 0 C-N-CA 126.768 2.027 . . . . 0.0 109.722 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -107.37 -5.74 17.57 Favored 'General case' 0 C--O 1.166 -3.334 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 -153.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 -30.88 6.1 Favored Glycine 1 C--O 1.158 -4.612 0 C-N-CA 127.421 2.438 . . . . 0.0 112.994 173.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -77.49 138.45 39.22 Favored 'General case' 1 C--O 1.147 -4.293 0 C-N-CA 126.477 1.911 . . . . 0.0 112.491 -156.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 88.25 7.1 Favored 'General case' 0 C--O 1.156 -3.821 0 C-N-CA 126.717 2.007 . . . . 0.0 111.142 -158.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.47 -72.25 0.03 OUTLIER Glycine 1 C--O 1.157 -4.692 0 C-N-CA 125.981 1.753 . . . . 0.0 112.357 -161.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -139.85 160.67 39.36 Favored 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 126.071 1.749 . . . . 0.0 110.963 -149.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.17 158.65 4.15 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.437 0 C-N-CA 126.694 1.997 . . . . 0.0 111.412 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.16 Favored 'General case' 1 C--O 1.14 -4.682 0 C-N-CA 127.898 2.479 . . . . 0.0 110.345 -163.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -65.19 -29.38 70.19 Favored 'General case' 1 C--O 1.151 -4.099 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.335 -144.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.29 30.41 1.57 Allowed 'General case' 0 C--O 1.158 -3.751 0 C-N-CA 126.848 2.059 . . . . 0.0 112.064 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 t -32.15 148.38 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.075 0 C-N-CA 128.675 2.79 . . . . 0.0 111.932 159.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 70.78 2.84 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.785 2.034 . . . . 0.0 110.848 171.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.975 0 C-N-CA 126.814 2.046 . . . . 0.0 110.178 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 1 C--O 1.149 -4.221 0 CA-C-O 122.009 0.909 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -53.26 102.21 0.05 Allowed 'General case' 0 C--O 1.153 -3.993 0 C-N-CA 126.555 1.942 . . . . 0.0 110.871 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.18 96.25 0.01 OUTLIER 'General case' 1 C--O 1.148 -4.267 0 C-N-CA 126.377 1.871 . . . . 0.0 109.73 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.47 0.01 OUTLIER 'General case' 0 C--O 1.163 -3.475 0 C-N-CA 129.507 3.123 . . . . 0.0 115.152 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.51 -68.95 0.67 Allowed 'General case' 0 C--O 1.165 -3.353 0 C-N-CA 127.375 2.27 . . . . 0.0 111.285 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.26 -4.84 30.99 Favored 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 126.224 1.81 . . . . 0.0 115.263 -150.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -31.26 6.52 Favored Glycine 1 C--O 1.157 -4.676 0 C-N-CA 127.292 2.377 . . . . 0.0 112.519 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -78.43 128.16 33.21 Favored 'General case' 1 C--O 1.152 -4.048 0 C-N-CA 125.974 1.71 . . . . 0.0 111.453 -159.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.39 91.96 7.9 Favored 'General case' 0 C--O 1.155 -3.913 0 C-N-CA 126.72 2.008 . . . . 0.0 110.61 -158.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.52 -70.41 0.04 OUTLIER Glycine 1 C--O 1.153 -4.959 0 C-N-CA 126.313 1.911 . . . . 0.0 111.543 -159.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -134.04 157.71 45.43 Favored 'General case' 0 C--O 1.154 -3.968 0 C-N-CA 126.17 1.788 . . . . 0.0 110.082 -157.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 pt -81.0 157.53 4.24 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.519 0 C-N-CA 126.281 1.833 . . . . 0.0 111.493 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.24 89.86 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 127.835 2.454 . . . . 0.0 109.791 -163.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -62.84 -33.32 75.0 Favored 'General case' 1 C--O 1.149 -4.225 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.272 -144.885 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.91 30.23 1.84 Allowed 'General case' 0 C--O 1.157 -3.788 0 C-N-CA 126.938 2.095 . . . . 0.0 112.04 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 t -32.13 146.62 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 128.298 2.639 . . . . 0.0 111.399 156.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -90.95 64.33 5.4 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 126.681 1.993 . . . . 0.0 110.833 172.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 C-N-CA 126.805 2.042 . . . . 0.0 110.122 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 1' ' ' VAL . 7.3 p . . . . . 1 C--O 1.149 -4.212 0 CA-C-O 122.272 1.034 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.34 141.86 22.58 Favored 'General case' 1 C--O 1.151 -4.129 0 C-N-CA 126.56 1.944 . . . . 0.0 110.62 -170.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.14 95.78 0.42 Allowed 'General case' 0 C--O 1.154 -3.93 0 C-N-CA 126.059 1.744 . . . . 0.0 110.672 -163.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.58 -32.32 0.01 OUTLIER 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 129.69 3.196 . . . . 0.0 115.402 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -86.31 -68.61 0.73 Allowed 'General case' 0 C--O 1.166 -3.316 0 C-N-CA 127.308 2.243 . . . . 0.0 111.272 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -98.06 -4.99 34.8 Favored 'General case' 0 C--O 1.163 -3.492 0 C-N-CA 126.389 1.875 . . . . 0.0 115.317 -151.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.76 -31.21 6.33 Favored Glycine 1 C--O 1.158 -4.609 0 C-N-CA 127.275 2.369 . . . . 0.0 112.746 172.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.37 135.42 40.83 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.367 1.867 . . . . 0.0 111.947 -159.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.58 82.85 4.41 Favored 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.855 2.062 . . . . 0.0 111.081 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.65 -72.95 0.03 OUTLIER Glycine 1 C--O 1.154 -4.862 0 C-N-CA 126.288 1.899 . . . . 0.0 111.947 -164.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -128.29 158.87 36.99 Favored 'General case' 0 C--O 1.154 -3.948 0 C-N-CA 126.1 1.76 . . . . 0.0 110.38 -154.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.76 158.64 4.76 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.525 0 C-N-CA 126.66 1.984 . . . . 0.0 111.72 177.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.67 78.71 Favored 'General case' 1 C--O 1.136 -4.896 0 C-N-CA 127.825 2.45 . . . . 0.0 109.465 -163.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 14' ' ' ARG . 2.0 ttp-105 -67.88 -31.12 70.69 Favored 'General case' 1 C--O 1.151 -4.08 0 CA-C-N 112.405 -2.18 . . . . 0.0 108.843 -145.547 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 30.24 3.2 Favored 'General case' 0 C--O 1.157 -3.781 0 C-N-CA 127.2 2.2 . . . . 0.0 111.991 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -38.16 155.99 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.755 0 C-N-CA 127.171 2.188 . . . . 0.0 109.376 149.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.78 78.24 6.15 Favored 'General case' 1 C--O 1.149 -4.204 0 C-N-CA 126.205 1.802 . . . . 0.0 110.856 163.68 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.292 -1.925 0 C-N-CA 126.866 2.066 . . . . 0.0 110.095 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 1 C--O 1.15 -4.144 0 CA-C-O 122.085 0.945 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.29 100.54 0.01 OUTLIER 'General case' 1 C--O 1.153 -4.013 0 C-N-CA 126.718 2.007 . . . . 0.0 110.664 164.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.94 95.39 0.01 OUTLIER 'General case' 1 C--O 1.147 -4.342 0 C-N-CA 126.566 1.946 . . . . 0.0 109.522 172.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -31.41 -34.53 0.01 OUTLIER 'General case' 0 C--O 1.161 -3.554 0 C-N-CA 129.524 3.129 . . . . 0.0 115.311 -172.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.34 -69.19 0.64 Allowed 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 127.281 2.232 . . . . 0.0 110.965 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.255 0.5 OUTLIER -98.54 -5.66 31.69 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.104 1.762 . . . . 0.0 115.291 -150.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.57 -31.74 5.95 Favored Glycine 1 C--O 1.157 -4.699 0 C-N-CA 127.191 2.329 . . . . 0.0 112.399 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -80.95 101.43 9.49 Favored 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 125.557 1.543 . . . . 0.0 110.915 -156.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.51 122.96 1.16 Allowed 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.647 1.979 . . . . 0.0 111.561 178.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.47 -55.72 0.38 Allowed Glycine 1 C--O 1.157 -4.68 0 C-N-CA 126.184 1.85 . . . . 0.0 112.068 165.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -129.86 148.53 51.74 Favored 'General case' 1 C--O 1.151 -4.096 0 C-N-CA 125.811 1.644 . . . . 0.0 109.936 -154.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -79.02 156.13 4.82 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.583 0 C-N-CA 126.029 1.732 . . . . 0.0 110.684 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.55 94.96 Favored 'General case' 1 C--O 1.142 -4.603 0 C-N-CA 127.399 2.28 . . . . 0.0 109.98 -161.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -22.88 61.69 Favored 'General case' 0 C--O 1.159 -3.699 0 CA-C-N 113.165 -1.834 . . . . 0.0 110.153 -142.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -137.15 19.52 2.98 Favored 'General case' 0 C--O 1.164 -3.412 0 C-N-CA 127.555 2.342 . . . . 0.0 114.506 170.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 12.3 t -29.54 134.46 0.04 OUTLIER 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.509 2.723 . . . . 0.0 112.381 164.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -97.51 84.37 3.41 Favored 'General case' 1 C--O 1.15 -4.138 0 C-N-CA 126.426 1.89 . . . . 0.0 110.517 164.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . 0 C--N 1.292 -1.901 0 C-N-CA 126.712 2.005 . . . . 0.0 110.148 -167.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.789 HG22 ' CE ' ' A' ' 2' ' ' LYS . 7.6 p . . . . . 1 C--O 1.153 -4.024 0 CA-C-O 122.771 1.272 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.789 ' CE ' HG22 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -175.21 126.1 0.26 Allowed 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 126.072 1.749 . . . . 0.0 110.578 155.293 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.54 97.36 2.1 Favored 'General case' 1 C--O 1.152 -4.03 0 C-N-CA 126.57 1.948 . . . . 0.0 110.543 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -34.05 -36.82 0.04 OUTLIER 'General case' 0 C--O 1.163 -3.489 0 C-N-CA 129.548 3.139 . . . . 0.0 114.715 -175.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.0 -68.76 0.69 Allowed 'General case' 0 C--O 1.163 -3.481 0 C-N-CA 127.206 2.202 . . . . 0.0 110.845 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -96.67 -5.4 38.97 Favored 'General case' 0 C--O 1.163 -3.467 0 C-N-CA 126.039 1.735 . . . . 0.0 114.974 -151.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -31.65 5.91 Favored Glycine 1 C--O 1.157 -4.7 0 C-N-CA 127.048 2.261 . . . . 0.0 112.563 172.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -80.39 114.01 18.98 Favored 'General case' 0 C--O 1.156 -3.868 0 C-N-CA 125.454 1.502 . . . . 0.0 111.236 -155.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 123.07 7.18 Favored 'General case' 1 C--O 1.151 -4.128 0 C-N-CA 124.743 1.217 . . . . 0.0 109.232 -178.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.75 -57.7 0.31 Allowed Glycine 1 C--O 1.158 -4.641 0 C-N-CA 125.796 1.665 . . . . 0.0 112.22 164.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -132.29 156.01 47.32 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 125.754 1.622 . . . . 0.0 110.84 -151.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 pt -80.47 157.25 4.4 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.606 0 C-N-CA 126.234 1.813 . . . . 0.0 111.363 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.8 81.72 Favored 'General case' 1 C--O 1.141 -4.644 0 C-N-CA 127.879 2.472 . . . . 0.0 110.171 -163.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -67.59 -28.35 67.69 Favored 'General case' 1 C--O 1.153 -4.012 0 CA-C-N 113.114 -1.857 . . . . 0.0 109.561 -143.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -143.83 32.17 1.28 Allowed 'General case' 0 C--O 1.157 -3.766 0 C-N-CA 126.863 2.065 . . . . 0.0 112.353 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.8 t -29.78 -51.92 0.13 Allowed 'General case' 0 C--O 1.154 -3.955 0 C-N-CA 128.166 2.587 . . . . 0.0 112.115 160.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 70.78 79.74 0.17 Allowed 'General case' 1 C--O 1.151 -4.083 0 C-N-CA 126.686 1.994 . . . . 0.0 110.654 -172.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.979 0 C-N-CA 126.608 1.963 . . . . 0.0 110.159 -171.251 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 1 C--O 1.149 -4.186 0 CA-C-O 122.327 1.06 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.06 138.2 0.03 OUTLIER 'General case' 0 C--O 1.155 -3.896 0 C-N-CA 126.946 2.098 . . . . 0.0 111.553 163.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.09 99.97 6.35 Favored 'General case' 0 C--O 1.154 -3.932 0 C-N-CA 126.377 1.871 . . . . 0.0 110.659 -164.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -33.45 -42.88 0.11 Allowed 'General case' 0 C--O 1.162 -3.532 0 C-N-CA 129.385 3.074 . . . . 0.0 114.358 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.27 -67.47 0.75 Allowed 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.128 2.171 . . . . 0.0 110.359 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.252 0.5 OUTLIER -101.34 -4.34 27.19 Favored 'General case' 0 C--O 1.162 -3.516 0 C-N-CA 126.056 1.742 . . . . 0.0 115.327 -150.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.56 -31.04 6.01 Favored Glycine 1 C--O 1.158 -4.619 0 C-N-CA 127.174 2.321 . . . . 0.0 112.765 172.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 121.79 25.94 Favored 'General case' 0 C--O 1.154 -3.954 0 C-N-CA 125.699 1.6 . . . . 0.0 111.724 -155.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.74 110.14 3.64 Favored 'General case' 1 C--O 1.153 -4.017 0 C-N-CA 126.44 1.896 . . . . 0.0 110.752 -174.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.78 -66.31 0.09 OUTLIER Glycine 1 C--O 1.158 -4.652 0 C-N-CA 126.337 1.922 . . . . 0.0 112.387 -173.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -143.17 159.73 41.75 Favored 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 125.779 1.632 . . . . 0.0 111.425 -149.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 pt -79.87 158.92 4.46 Favored 'Isoleucine or valine' 1 C--O 1.145 -4.425 0 C-N-CA 126.932 2.093 . . . . 0.0 111.582 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.33 73.13 Favored 'General case' 1 C--O 1.141 -4.64 0 C-N-CA 128.005 2.522 . . . . 0.0 110.315 -163.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -65.99 -29.4 69.78 Favored 'General case' 1 C--O 1.152 -4.031 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.444 -144.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.88 28.21 2.37 Favored 'General case' 0 C--O 1.158 -3.754 0 C-N-CA 126.893 2.077 . . . . 0.0 112.577 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 t -31.47 148.76 0.01 OUTLIER 'General case' 1 C--O 1.152 -4.037 0 C-N-CA 128.195 2.598 . . . . 0.0 111.241 155.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 92.57 7.02 Favored 'General case' 1 C--O 1.148 -4.25 0 C-N-CA 126.284 1.833 . . . . 0.0 110.335 167.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.956 0 C-N-CA 126.625 1.97 . . . . 0.0 110.075 -173.094 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 1 C--O 1.15 -4.143 0 CA-C-O 122.174 0.987 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttp 81.84 108.51 0.07 Allowed 'General case' 1 C--O 1.15 -4.167 0 C-N-CA 126.278 1.831 . . . . 0.0 109.925 166.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.1 t -49.69 122.86 6.92 Favored 'General case' 1 C--O 1.151 -4.085 0 C-N-CA 126.361 1.864 . . . . 0.0 109.865 162.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -54.51 8.59 Favored 'General case' 0 C--O 1.159 -3.703 0 C-N-CA 127.407 2.283 . . . . 0.0 112.109 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.84 -56.44 10.37 Favored 'General case' 0 C--O 1.155 -3.905 0 C-N-CA 126.386 1.874 . . . . 0.0 109.439 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.37 -6.51 13.52 Favored 'General case' 0 C--O 1.17 -3.08 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 -156.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 -32.35 5.66 Favored Glycine 1 C--O 1.157 -4.677 0 C-N-CA 127.391 2.424 . . . . 0.0 112.621 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.46 107.98 0.88 Allowed 'General case' 0 C--O 1.154 -3.962 0 C-N-CA 126.707 2.003 . . . . 0.0 111.57 -156.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -39.89 89.92 0.0 OUTLIER 'General case' 1 C--O 1.147 -4.304 0 C-N-CA 125.46 1.504 . . . . 0.0 110.282 167.089 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.84 -89.27 0.08 OUTLIER Glycine 1 C--O 1.157 -4.678 0 C-N-CA 126.062 1.791 . . . . 0.0 112.419 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.07 163.64 14.9 Favored 'General case' 0 C--O 1.154 -3.964 0 C-N-CA 126.256 1.822 . . . . 0.0 110.887 -150.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 14' ' ' ARG . 12.2 pt -79.23 158.35 4.66 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.586 0 C-N-CA 126.071 1.748 . . . . 0.0 110.979 169.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -38.8 68.29 Favored 'General case' 1 C--O 1.144 -4.49 0 C-N-CA 127.787 2.435 . . . . 0.0 110.465 -167.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CD ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.82 -32.87 72.23 Favored 'General case' 1 C--O 1.15 -4.136 0 CA-C-N 113.659 -1.609 . . . . 0.0 109.148 -143.754 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -141.31 27.12 1.94 Allowed 'General case' 0 C--O 1.163 -3.462 0 C-N-CA 126.523 1.929 . . . . 0.0 114.041 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.8 t -24.7 147.91 0.0 OUTLIER 'General case' 0 C--O 1.154 -3.939 0 C-N-CA 128.264 2.625 . . . . 0.0 112.401 154.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -96.54 72.35 2.71 Favored 'General case' 1 C--O 1.151 -4.089 0 C-N-CA 126.625 1.97 . . . . 0.0 110.848 166.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.924 0 C-N-CA 126.65 1.98 . . . . 0.0 110.124 169.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.953 HG23 ' HA ' ' A' ' 9' ' ' GLU . 1.4 m . . . . . 1 C--O 1.153 -4.022 0 CA-C-O 122.105 0.955 . . . . 0.0 111.534 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HG23 ' A' ' 1' ' ' VAL . 0.0 OUTLIER 39.8 90.07 0.01 OUTLIER 'General case' 0 C--O 1.154 -3.973 0 C-N-CA 128.507 2.723 . . . . 0.0 113.613 167.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.15 115.89 1.0 Allowed 'General case' 1 C--O 1.151 -4.108 0 C-N-CA 126.221 1.809 . . . . 0.0 109.364 163.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -46.35 6.69 Favored 'General case' 0 C--O 1.162 -3.522 0 C-N-CA 127.556 2.342 . . . . 0.0 112.986 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -74.36 -61.71 1.77 Allowed 'General case' 0 C--O 1.16 -3.636 0 C-N-CA 126.798 2.039 . . . . 0.0 110.195 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.3 -4.88 18.21 Favored 'General case' 0 C--O 1.163 -3.457 0 N-CA-C 116.628 2.084 . . . . 0.0 116.628 -155.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.69 -33.58 5.26 Favored Glycine 1 C--O 1.156 -4.726 0 C-N-CA 127.301 2.381 . . . . 0.0 112.288 172.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -63.38 109.73 1.69 Allowed 'General case' 0 C--O 1.153 -3.997 0 C-N-CA 126.658 1.983 . . . . 0.0 111.352 -159.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.953 ' HA ' HG23 ' A' ' 1' ' ' VAL . 0.7 OUTLIER -54.86 96.44 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 127.008 2.123 . . . . 0.0 110.944 169.388 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.43 -73.31 0.06 OUTLIER Glycine 1 C--O 1.156 -4.765 0 C-N-CA 126.075 1.797 . . . . 0.0 112.021 -168.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -141.5 160.65 39.7 Favored 'General case' 0 C--O 1.155 -3.907 0 C-N-CA 125.579 1.552 . . . . 0.0 110.85 -149.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -81.71 159.88 3.91 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.526 0 C-N-CA 126.714 2.006 . . . . 0.0 111.588 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.11 69.08 Favored 'General case' 1 C--O 1.146 -4.382 0 C-N-CA 128.175 2.59 . . . . 0.0 111.327 -167.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.34 73.46 Favored 'General case' 1 C--O 1.15 -4.166 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.385 -144.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -143.64 32.63 1.29 Allowed 'General case' 0 C--O 1.156 -3.856 0 C-N-CA 126.87 2.068 . . . . 0.0 112.731 174.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 17' ' ' ARG 0.292 40.7 t -22.73 -97.32 0.0 OUTLIER 'General case' 0 C--O 1.18 -2.553 0 C-N-CA 128.568 2.747 . . . . 0.0 113.647 159.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 16' ' ' CYS 0.421 4.3 ttm-85 160.85 -4.31 0.0 OUTLIER 'General case' 0 C--O 1.166 -3.315 0 C-N-CA 130.718 3.607 . . . . 0.0 113.221 156.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.229 0 C-N-CA 127.171 2.189 . . . . 0.0 109.892 157.105 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 1' ' ' VAL . 7.6 p . . . . . 1 C--O 1.151 -4.084 0 CA-C-O 122.099 0.952 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -173.93 148.5 1.41 Allowed 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.535 1.934 . . . . 0.0 111.526 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -50.57 119.93 4.23 Favored 'General case' 1 C--O 1.151 -4.119 0 C-N-CA 126.282 1.833 . . . . 0.0 109.14 161.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.07 62.75 Favored 'General case' 0 C--O 1.165 -3.37 0 C-N-CA 127.408 2.283 . . . . 0.0 113.324 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -69.48 -59.52 2.93 Favored 'General case' 0 C--O 1.157 -3.79 0 C-N-CA 126.845 2.058 . . . . 0.0 109.618 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.72 -6.62 16.72 Favored 'General case' 0 C--O 1.165 -3.369 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -156.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.83 -32.97 5.47 Favored Glycine 1 C--O 1.158 -4.653 0 C-N-CA 127.267 2.365 . . . . 0.0 112.386 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 117.52 6.5 Favored 'General case' 1 C--O 1.152 -4.07 0 C-N-CA 126.562 1.945 . . . . 0.0 111.41 -157.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 90.99 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.199 0 C-N-CA 126.761 2.024 . . . . 0.0 110.64 160.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.18 -84.72 0.08 OUTLIER Glycine 1 C--O 1.156 -4.75 0 C-N-CA 125.927 1.727 . . . . 0.0 112.451 170.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -105.94 163.89 12.39 Favored 'General case' 0 C--O 1.154 -3.952 0 C-N-CA 126.1 1.76 . . . . 0.0 110.892 -149.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 pt -79.61 160.03 4.35 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.516 0 C-N-CA 126.467 1.907 . . . . 0.0 111.791 171.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.5 54.08 Favored 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 128.109 2.564 . . . . 0.0 111.217 -167.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 19.4 tpt180 -64.64 -25.08 67.8 Favored 'General case' 0 C--O 1.154 -3.946 0 CA-C-N 113.53 -1.668 . . . . 0.0 109.835 -144.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -138.3 18.52 2.76 Favored 'General case' 0 C--O 1.161 -3.563 0 C-N-CA 126.386 1.875 . . . . 0.0 114.642 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -29.58 -67.07 0.09 Allowed 'General case' 1 C--O 1.152 -4.066 0 C-N-CA 128.033 2.533 . . . . 0.0 111.474 156.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 72.21 0.02 OUTLIER 'General case' 1 C--O 1.15 -4.152 0 C-N-CA 126.962 2.105 . . . . 0.0 110.805 177.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.856 0 C-N-CA 126.728 2.011 . . . . 0.0 110.03 -170.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 1' ' ' VAL . 32.6 m . . . . . 1 C--O 1.149 -4.199 0 CA-C-O 122.095 0.95 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.57 142.85 8.22 Favored 'General case' 1 C--O 1.15 -4.177 0 C-N-CA 126.405 1.882 . . . . 0.0 111.195 -168.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -67.35 124.38 23.0 Favored 'General case' 1 C--O 1.152 -4.051 0 C-N-CA 127.019 2.128 . . . . 0.0 110.735 -177.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -60.46 2.74 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 127.341 2.256 . . . . 0.0 111.773 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -62.45 -49.9 73.59 Favored 'General case' 0 C--O 1.154 -3.941 0 C-N-CA 126.267 1.827 . . . . 0.0 109.38 -167.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.267 0.6 OUTLIER -117.07 -7.44 11.32 Favored 'General case' 0 C--O 1.175 -2.865 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -160.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.77 -35.56 4.1 Favored Glycine 1 C--O 1.157 -4.662 0 C-N-CA 127.586 2.517 . . . . 0.0 112.237 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -57.68 122.71 13.44 Favored 'General case' 1 C--O 1.152 -4.073 0 C-N-CA 126.408 1.883 . . . . 0.0 111.344 -157.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.27 89.97 0.0 OUTLIER 'General case' 1 C--O 1.149 -4.185 0 C-N-CA 126.622 1.969 . . . . 0.0 110.667 161.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.67 -81.49 0.06 OUTLIER Glycine 1 C--O 1.156 -4.735 0 C-N-CA 126.112 1.815 . . . . 0.0 112.217 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -116.66 162.57 17.45 Favored 'General case' 1 C--O 1.153 -4.014 0 C-N-CA 126.265 1.826 . . . . 0.0 111.015 -150.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 pt -81.39 158.84 4.09 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.544 0 C-N-CA 126.26 1.824 . . . . 0.0 111.112 171.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.79 -43.31 75.93 Favored 'General case' 1 C--O 1.146 -4.362 0 C-N-CA 127.774 2.43 . . . . 0.0 110.995 -166.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 mmm-85 -60.62 -32.32 71.47 Favored 'General case' 1 C--O 1.15 -4.137 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.934 -143.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.35 20.57 2.95 Favored 'General case' 0 C--O 1.16 -3.615 0 C-N-CA 126.583 1.953 . . . . 0.0 114.601 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 t -27.15 137.74 0.02 OUTLIER 'General case' 0 C--O 1.156 -3.861 0 C-N-CA 128.215 2.606 . . . . 0.0 111.973 155.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 24.38 8.05 Favored 'General case' 0 C--O 1.156 -3.849 0 C-N-CA 126.529 1.932 . . . . 0.0 111.953 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 126.569 1.948 . . . . 0.0 110.16 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 1 C--O 1.152 -4.04 0 CA-C-O 122.013 0.911 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.85 154.56 0.11 Allowed 'General case' 1 C--O 1.146 -4.357 0 C-N-CA 126.541 1.936 . . . . 0.0 111.257 162.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.24 127.2 30.94 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.609 1.964 . . . . 0.0 110.275 170.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -56.03 14.21 Favored 'General case' 0 C--O 1.162 -3.545 0 C-N-CA 127.117 2.167 . . . . 0.0 112.414 172.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.34 -52.35 34.3 Favored 'General case' 0 C--O 1.157 -3.768 0 C-N-CA 126.455 1.902 . . . . 0.0 110.277 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.15 5.94 9.19 Favored 'General case' 0 C--O 1.176 -2.767 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.24 -35.59 3.88 Favored Glycine 1 C--O 1.159 -4.545 0 C-N-CA 127.535 2.493 . . . . 0.0 112.954 166.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -58.17 114.66 2.49 Favored 'General case' 0 C--O 1.153 -3.976 0 C-N-CA 127.113 2.165 . . . . 0.0 111.911 -156.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 80.97 0.0 OUTLIER 'General case' 1 C--O 1.15 -4.137 0 C-N-CA 126.934 2.094 . . . . 0.0 111.029 168.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.82 -92.04 0.08 OUTLIER Glycine 1 C--O 1.156 -4.742 0 C-N-CA 125.872 1.701 . . . . 0.0 112.545 -166.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -122.27 164.59 17.62 Favored 'General case' 0 C--O 1.156 -3.835 0 C-N-CA 126.394 1.878 . . . . 0.0 110.906 -149.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.31 160.03 4.42 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.564 0 C-N-CA 126.401 1.88 . . . . 0.0 111.216 172.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.84 60.83 Favored 'General case' 1 C--O 1.151 -4.101 0 C-N-CA 127.895 2.478 . . . . 0.0 112.195 -167.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -28.98 69.53 Favored 'General case' 1 C--O 1.151 -4.118 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.321 -144.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -147.69 30.88 0.89 Allowed 'General case' 0 C--O 1.158 -3.718 0 CA-C-O 123.834 1.778 . . . . 0.0 112.543 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -26.79 147.92 0.0 OUTLIER 'General case' 1 C--O 1.151 -4.081 0 C-N-CA 128.884 2.874 . . . . 0.0 112.353 153.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -91.03 70.29 6.32 Favored 'General case' 1 C--O 1.151 -4.095 0 C-N-CA 126.95 2.1 . . . . 0.0 110.929 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.933 0 C-N-CA 126.621 1.969 . . . . 0.0 110.185 172.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.154 -3.935 0 CA-C-O 121.878 0.847 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.18 144.55 0.33 Allowed 'General case' 1 C--O 1.15 -4.174 0 C-N-CA 126.587 1.955 . . . . 0.0 110.976 168.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.56 108.43 1.14 Allowed 'General case' 1 C--O 1.153 -4.011 0 C-N-CA 126.371 1.868 . . . . 0.0 110.23 -169.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -34.19 -50.64 0.41 Allowed 'General case' 0 C--O 1.163 -3.464 0 C-N-CA 128.588 2.755 . . . . 0.0 113.786 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -73.31 -63.56 1.16 Allowed 'General case' 0 C--O 1.161 -3.558 0 C-N-CA 126.842 2.057 . . . . 0.0 110.085 -174.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.52 2.43 15.35 Favored 'General case' 0 C--O 1.171 -3.079 0 N-CA-C 117.119 2.266 . . . . 0.0 117.119 -153.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.71 4.78 Favored Glycine 1 C--O 1.16 -4.52 0 C-N-CA 127.161 2.315 . . . . 0.0 112.641 168.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.96 112.69 1.96 Allowed 'General case' 1 C--O 1.151 -4.106 0 C-N-CA 126.261 1.824 . . . . 0.0 110.274 -159.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 78.83 0.79 Allowed 'General case' 1 C--O 1.151 -4.13 0 C-N-CA 126.274 1.829 . . . . 0.0 110.759 -162.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.42 -83.91 0.05 OUTLIER Glycine 1 C--O 1.155 -4.843 0 C-N-CA 126.332 1.92 . . . . 0.0 111.928 -164.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.99 167.21 9.92 Favored 'General case' 0 C--O 1.153 -3.987 0 C-N-CA 126.145 1.778 . . . . 0.0 111.004 -155.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 pt -80.87 159.0 4.2 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.527 0 C-N-CA 125.882 1.673 . . . . 0.0 110.426 162.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -41.55 62.25 Favored 'General case' 1 C--O 1.145 -4.414 0 C-N-CA 127.716 2.407 . . . . 0.0 111.099 -163.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.49 -33.56 76.22 Favored 'General case' 0 C--O 1.154 -3.947 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.898 -142.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -127.81 17.55 6.8 Favored 'General case' 0 C--O 1.161 -3.601 0 C-N-CA 127.109 2.164 . . . . 0.0 114.015 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -28.93 -76.06 0.02 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 127.96 2.504 . . . . 0.0 112.069 157.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.71 86.74 0.1 Allowed 'General case' 1 C--O 1.151 -4.093 0 C-N-CA 126.734 2.014 . . . . 0.0 110.689 -174.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.971 0 C-N-CA 126.479 1.912 . . . . 0.0 110.317 -170.048 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 1' ' ' VAL . 33.4 m . . . . . 1 C--O 1.151 -4.109 0 CA-C-O 122.307 1.051 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.66 132.92 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.899 0 C-N-CA 126.197 1.799 . . . . 0.0 110.859 -164.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.12 100.2 0.03 OUTLIER 'General case' 1 C--O 1.15 -4.16 0 C-N-CA 126.42 1.888 . . . . 0.0 110.14 159.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -17.01 0.02 OUTLIER 'General case' 0 C--O 1.166 -3.34 0 C-N-CA 129.506 3.122 . . . . 0.0 116.035 -168.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -89.02 -67.2 0.85 Allowed 'General case' 0 C--O 1.169 -3.141 0 C-N-CA 127.145 2.178 . . . . 0.0 112.153 167.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.24 -5.1 20.92 Favored 'General case' 0 C--O 1.162 -3.513 0 O-C-N 119.325 -2.109 . . . . 0.0 116.45 -151.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.4 -35.29 4.45 Favored Glycine 1 C--O 1.157 -4.716 0 C-N-CA 127.446 2.45 . . . . 0.0 112.109 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -62.46 105.43 0.62 Allowed 'General case' 1 C--O 1.153 -4.023 0 C-N-CA 126.325 1.85 . . . . 0.0 111.046 -158.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 103.09 0.14 Allowed 'General case' 1 C--O 1.152 -4.055 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.441 176.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.83 -77.36 0.09 OUTLIER Glycine 1 C--O 1.154 -4.85 0 C-N-CA 127.078 2.275 . . . . 0.0 111.663 -171.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -113.78 161.89 16.99 Favored 'General case' 0 C--O 1.155 -3.909 0 C-N-CA 126.385 1.874 . . . . 0.0 110.244 -159.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -84.23 157.63 3.61 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.642 0 C-N-CA 126.469 1.908 . . . . 0.0 111.675 173.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.35 94.9 Favored 'General case' 1 C--O 1.136 -4.916 0 C-N-CA 127.711 2.404 . . . . 0.0 108.776 -170.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -62.33 -29.17 70.25 Favored 'General case' 1 C--O 1.152 -4.036 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.502 -146.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -141.03 26.55 2.03 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 126.952 2.101 . . . . 0.0 114.343 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 t -31.87 151.77 0.01 OUTLIER 'General case' 0 C--O 1.158 -3.733 0 C-N-CA 127.077 2.151 . . . . 0.0 110.229 149.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -131.86 83.4 2.09 Favored 'General case' 1 C--O 1.151 -4.111 0 C-N-CA 126.579 1.952 . . . . 0.0 111.625 163.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 C-N-CA 126.852 2.061 . . . . 0.0 110.072 165.402 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 1 C--O 1.151 -4.102 0 CA-C-O 122.363 1.078 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 145.99 30.69 Favored 'General case' 1 C--O 1.151 -4.09 0 C-N-CA 126.202 1.801 . . . . 0.0 110.974 -162.718 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 t -48.31 104.49 0.06 Allowed 'General case' 1 C--O 1.149 -4.206 0 C-N-CA 126.433 1.893 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -36.49 -39.58 0.2 Allowed 'General case' 0 C--O 1.164 -3.443 0 C-N-CA 128.419 2.687 . . . . 0.0 114.397 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -81.07 -67.6 0.76 Allowed 'General case' 0 C--O 1.164 -3.406 0 C-N-CA 126.7 2.0 . . . . 0.0 110.822 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.28 0.6 OUTLIER -94.02 -13.46 26.91 Favored 'General case' 0 C--O 1.162 -3.513 0 C-N-CA 125.884 1.674 . . . . 0.0 115.037 -152.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.58 -36.01 4.52 Favored Glycine 1 C--O 1.159 -4.553 0 C-N-CA 127.277 2.37 . . . . 0.0 112.854 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -66.87 114.2 5.52 Favored 'General case' 1 C--O 1.151 -4.121 0 C-N-CA 126.446 1.899 . . . . 0.0 111.344 -156.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -43.87 93.49 0.01 OUTLIER 'General case' 1 C--O 1.151 -4.125 0 C-N-CA 126.836 2.054 . . . . 0.0 110.753 162.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.44 -77.03 0.06 OUTLIER Glycine 1 C--O 1.156 -4.771 0 C-N-CA 126.12 1.819 . . . . 0.0 111.873 170.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -114.56 161.58 17.86 Favored 'General case' 0 C--O 1.153 -3.999 0 C-N-CA 126.344 1.857 . . . . 0.0 110.744 -153.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 pt -80.21 158.46 4.4 Favored 'Isoleucine or valine' 1 C--O 1.144 -4.487 0 C-N-CA 126.401 1.881 . . . . 0.0 111.243 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -45.4 69.73 Favored 'General case' 1 C--O 1.142 -4.595 0 C-N-CA 127.672 2.389 . . . . 0.0 110.265 -165.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -30.52 69.85 Favored 'General case' 1 C--O 1.152 -4.059 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.793 -145.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -138.15 21.27 2.8 Favored 'General case' 0 C--O 1.162 -3.521 0 C-N-CA 126.503 1.921 . . . . 0.0 114.902 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -27.43 139.45 0.01 OUTLIER 'General case' 0 C--O 1.155 -3.904 0 C-N-CA 127.402 2.281 . . . . 0.0 110.994 151.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -96.37 32.29 2.03 Favored 'General case' 0 C--O 1.155 -3.89 0 C-N-CA 126.386 1.874 . . . . 0.0 112.141 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 127.323 2.249 . . . . 0.0 109.762 167.265 . . . . . . . . 0 0 . 1 stop_ save_