data_1tv0_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 1tv0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.681 0.277 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HZ3' ' HD2' ' A' ' 24' ' ' ARG . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HD2' ' HZ3' ' A' ' 8' ' ' LYS . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.458 ' NH2' ' HZ1' ' A' ' 12' ' ' LYS . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 12' ' ' LYS . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.691 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.679 0.276 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.627 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.609 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.431 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.582 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.674 0.273 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.712 0.291 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.687 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' HD21 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.693 0.282 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 HD22 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD22 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.517 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HA ' ' SG ' ' A' ' 28' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.646 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.597 0.237 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.638 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.638 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HZ2' ' HD3' ' A' ' 24' ' ' ARG . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HD3' ' HZ2' ' A' ' 8' ' ' LYS . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.0 mt -79.74 80.57 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.751 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -100.75 51.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -99.08 156.28 17.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 t -129.39 101.03 19.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 27.0 Cg_endo -62.07 170.79 5.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.517 2.144 . . . . 0.0 112.527 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -102.61 12.04 36.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.814 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 2' ' ' LEU . 3.2 mm? -98.33 145.29 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.685 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -110.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m -77.57 -176.75 4.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.593 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HZ3' ' HD2' ' A' ' 24' ' ' ARG . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HD2' ' HZ3' ' A' ' 8' ' ' LYS . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.72 155.52 36.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.01 -170.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.828 2.352 . . . . 0.0 112.703 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -63.22 -78.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.835 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.83 29.53 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.326 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.57 136.05 33.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m -78.18 173.32 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.458 ' NH2' ' HZ1' ' A' ' 12' ' ' LYS . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 12' ' ' LYS . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.691 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m -97.02 119.75 62.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.84 137.17 26.54 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.352 2.035 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -73.42 -23.78 60.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.683 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.7 pt? -130.7 155.65 46.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.2 tp -145.79 110.23 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m -60.94 141.13 57.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -161.61 130.71 3.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.77 123.46 13.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.402 2.068 . . . . 0.0 112.225 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -83.97 33.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.793 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 2' ' ' LEU . 6.4 mp -100.13 114.42 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.74 171.8 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -64.04 158.28 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 30' ' ' PRO . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.627 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.94 121.02 36.06 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 61.1 Cg_endo -73.53 120.49 6.51 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.426 2.084 . . . . 0.0 112.151 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -82.4 -9.62 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.1 21.7 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -136.78 157.03 47.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.701 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -86.87 164.18 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -96.0 127.18 41.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.08 45.97 2.14 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.419 2.079 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -108.17 -25.59 11.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.057 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.7 pt? -66.35 140.42 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.6 mt -133.3 109.06 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.791 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m -81.99 150.47 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.25 137.65 10.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.16 116.26 1.75 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.694 2.262 . . . . 0.0 112.343 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -104.47 15.72 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.947 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -101.98 74.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.0 146.17 24.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m -93.2 164.76 13.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.609 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.33 144.28 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.29 94.09 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.39 2.06 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.78 -21.65 60.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.0 mp -110.07 -167.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.48 -177.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -68.67 178.06 2.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.699 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.652 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.65 128.65 25.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.83 124.98 14.49 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.338 2.025 . . . . 0.0 112.273 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -66.0 92.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.96 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.1 mt -110.29 40.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.405 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 3' ' ' LEU . 6.1 mp -105.04 92.5 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m -89.69 144.8 25.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.762 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.431 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.582 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -163.91 134.66 3.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.06 132.57 48.01 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 31' ' ' ARG . 45.0 ttm180 -87.23 -40.49 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.796 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.03 148.17 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.333 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.4 mm? -86.14 174.14 9.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.758 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.5 m -68.33 -177.16 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.1 m -97.38 129.61 31.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 31.0 Cg_exo -61.55 119.87 7.22 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.584 2.189 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -145.73 88.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.012 -179.797 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 30' ' ' PRO . 91.0 mt -65.8 164.11 15.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -155.69 155.07 32.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -99.18 143.61 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.16 144.1 20.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HB2' HD12 ' A' ' 2' ' ' LEU . 51.3 Cg_exo -56.66 -175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.655 2.237 . . . . 0.0 112.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -52.46 -60.13 3.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.936 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -102.72 79.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.18 66.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.665 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m -93.6 178.05 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HE ' ' HD3' ' A' ' 31' ' ' ARG . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.687 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' HD21 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m -101.76 150.41 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.82 -179.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.587 2.191 . . . . 0.0 112.426 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.434 ' HD3' ' HE ' ' A' ' 13' ' ' ARG . 53.8 mtm180 -64.12 91.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.065 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.65 136.63 47.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.1 tp -156.16 139.37 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -78.68 143.73 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 HD22 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD22 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -165.63 118.13 0.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 147.08 57.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.433 2.088 . . . . 0.0 112.285 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -105.82 -42.26 5.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.934 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 tp -150.55 89.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.766 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.2 pt? -148.28 43.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.4 147.08 26.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.517 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HA ' ' SG ' ' A' ' 28' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -145.73 120.28 5.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.3 144.13 61.06 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.375 2.05 . . . . 0.0 112.498 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -93.93 -45.65 7.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.755 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.84 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.4 mp -87.9 14.3 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.08 145.75 39.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -84.46 143.56 29.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.644 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.646 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.29 136.18 26.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.3 131.83 18.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.418 2.079 . . . . 0.0 112.483 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -125.57 89.52 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.024 -179.763 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.529 ' HB3' ' HG2' ' A' ' 30' ' ' PRO . 86.6 mt -79.61 117.32 20.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.314 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.87 140.55 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m -88.32 179.3 6.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.528 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -123.76 154.49 67.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' A' ' 2' ' ' LEU . 79.8 Cg_exo -41.84 152.72 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.848 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -42.37 -43.8 3.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.85 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -119.41 153.64 34.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.49 69.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m -99.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.638 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.61 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.638 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t -161.47 91.86 1.46 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.43 127.66 23.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.61 2.206 . . . . 0.0 112.461 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -96.17 93.95 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.9 mp -98.0 47.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.01 0.433 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.8 mt -114.09 61.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.0 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.4 m -79.79 -176.47 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HZ2' ' HD3' ' A' ' 24' ' ' ARG . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HD3' ' HZ2' ' A' ' 8' ' ' LYS . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -102.01 148.72 35.75 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 72.5 Cg_endo -75.86 162.0 35.48 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.638 2.225 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -69.91 -24.94 63.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.106 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.8 tp -90.78 82.42 5.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -164.37 128.3 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m -75.83 157.15 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.79 144.01 36.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.69 132.91 22.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.492 2.128 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -126.32 96.22 4.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.763 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.078 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.681 0.277 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.668 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.706 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.679 0.276 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.637 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.542 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' VAL . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 24' ' ' ARG . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 17' ' ' VAL . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.646 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.715 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.44 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.658 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.625 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.61 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.674 0.273 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.537 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.712 0.291 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.695 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.695 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.708 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.714 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.693 0.282 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.715 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.721 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.597 0.237 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.672 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.602 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HE2' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.0 mt -79.74 80.57 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.751 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -100.75 51.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -99.08 156.28 17.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 t -129.39 101.03 19.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 27.0 Cg_endo -62.07 170.79 5.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.517 2.144 . . . . 0.0 112.527 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -102.61 12.04 36.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.814 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.2 mm? -98.33 145.29 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.685 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -110.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m -77.57 -176.75 4.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.593 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.668 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.72 155.52 36.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.01 -170.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.828 2.352 . . . . 0.0 112.703 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -63.22 -78.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.835 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.83 29.53 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.326 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.57 136.05 33.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m -78.18 173.32 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.706 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m -97.02 119.75 62.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.84 137.17 26.54 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.352 2.035 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -73.42 -23.78 60.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.683 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.7 pt? -130.7 155.65 46.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.2 tp -145.79 110.23 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m -60.94 141.13 57.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.637 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -161.61 130.71 3.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.77 123.46 13.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.402 2.068 . . . . 0.0 112.225 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -83.97 33.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.793 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.4 mp -100.13 114.42 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.74 171.8 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -64.04 158.28 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 30' ' ' PRO . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.94 121.02 36.06 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 61.1 Cg_endo -73.53 120.49 6.51 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.426 2.084 . . . . 0.0 112.151 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -82.4 -9.62 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.1 21.7 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -136.78 157.03 47.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.701 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -86.87 164.18 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.542 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' VAL . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 24' ' ' ARG . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -96.0 127.18 41.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.08 45.97 2.14 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.419 2.079 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -108.17 -25.59 11.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.057 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.7 pt? -66.35 140.42 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.6 mt -133.3 109.06 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.791 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m -81.99 150.47 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 17' ' ' VAL . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.25 137.65 10.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.16 116.26 1.75 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.694 2.262 . . . . 0.0 112.343 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -104.47 15.72 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.947 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -101.98 74.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.0 146.17 24.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m -93.2 164.76 13.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.33 144.28 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.29 94.09 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.39 2.06 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.78 -21.65 60.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.0 mp -110.07 -167.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.48 -177.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -68.67 178.06 2.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.699 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.646 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.715 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.65 128.65 25.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.83 124.98 14.49 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.338 2.025 . . . . 0.0 112.273 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -66.0 92.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.96 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.1 mt -110.29 40.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.405 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 3' ' ' LEU . 6.1 mp -105.04 92.5 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m -89.69 144.8 25.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.762 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.44 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.658 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.625 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.61 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -163.91 134.66 3.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.06 132.57 48.01 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 31' ' ' ARG . 45.0 ttm180 -87.23 -40.49 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.796 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.7 mp -101.03 148.17 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.333 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.4 mm? -86.14 174.14 9.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.758 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.628 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.5 m -68.33 -177.16 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.537 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.1 m -97.38 129.61 31.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 31.0 Cg_exo -61.55 119.87 7.22 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.584 2.189 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -145.73 88.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.012 -179.797 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' A' ' 30' ' ' PRO . 91.0 mt -65.8 164.11 15.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -155.69 155.07 32.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -99.18 143.61 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.695 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.695 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.708 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 1.8 t -146.16 144.1 20.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' HB2' HD13 ' A' ' 2' ' ' LEU . 51.3 Cg_exo -56.66 -175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.655 2.237 . . . . 0.0 112.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -52.46 -60.13 3.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.936 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -102.72 79.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.18 66.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.665 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m -93.6 178.05 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' ' HD3' ' A' ' 31' ' ' ARG . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.714 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m -101.76 150.41 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.82 -179.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.587 2.191 . . . . 0.0 112.426 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HD3' ' HE ' ' A' ' 13' ' ' ARG . 53.8 mtm180 -64.12 91.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.065 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.65 136.63 47.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.1 tp -156.16 139.37 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -78.68 143.73 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.715 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -165.63 118.13 0.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 147.08 57.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.433 2.088 . . . . 0.0 112.285 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -105.82 -42.26 5.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.934 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 tp -150.55 89.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.766 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.2 pt? -148.28 43.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.4 147.08 26.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -145.73 120.28 5.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.3 144.13 61.06 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.375 2.05 . . . . 0.0 112.498 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -93.93 -45.65 7.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.755 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.84 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.4 mp -87.9 14.3 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.08 145.75 39.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -84.46 143.56 29.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.721 ' H ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.29 136.18 26.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.3 131.83 18.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.418 2.079 . . . . 0.0 112.483 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -125.57 89.52 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.024 -179.763 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HB3' ' HG2' ' A' ' 30' ' ' PRO . 86.6 mt -79.61 117.32 20.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.314 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.87 140.55 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m -88.32 179.3 6.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HD2' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -123.76 154.49 67.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 79.8 Cg_exo -41.84 152.72 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.848 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -42.37 -43.8 3.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.85 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -119.41 153.64 34.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.49 69.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m -99.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.672 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t -161.47 91.86 1.46 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.43 127.66 23.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.61 2.206 . . . . 0.0 112.461 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -96.17 93.95 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.9 mp -98.0 47.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.01 0.433 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.8 mt -114.09 61.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.0 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.4 m -79.79 -176.47 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.602 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -102.01 148.72 35.75 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 72.5 Cg_endo -75.86 162.0 35.48 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.638 2.225 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -69.91 -24.94 63.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.106 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.8 tp -90.78 82.42 5.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -164.37 128.3 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m -75.83 157.15 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HE2' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.79 144.01 36.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.69 132.91 22.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.492 2.128 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -126.32 96.22 4.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.763 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.078 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.681 0.277 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.668 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.706 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.679 0.276 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.637 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.542 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 17' ' ' VAL . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 24' ' ' ARG . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 17' ' ' VAL . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.646 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.715 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.44 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.658 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.625 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.61 ' HD3' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.674 0.273 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.537 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.712 0.291 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.695 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.695 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.708 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.714 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.693 0.282 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.715 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.721 ' HD3' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.745 0.307 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.597 0.237 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.672 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.602 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HE2' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.0 mt -79.74 80.57 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.751 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.3 mt -100.75 51.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -99.08 156.28 17.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -145.99 149.33 33.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.976 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -81.62 128.21 33.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -122.3 166.67 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -121.41 118.25 28.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.736 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 -63.56 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.374 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 174.33 15.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.7 t -129.05 165.73 20.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.8 ptpp? -75.59 -32.09 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.6 ptm180 -172.48 122.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.51 24.53 6.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 31.7 mt-10 -58.92 115.27 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.788 0.328 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -140.1 169.05 18.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.962 0.41 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.7 45.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -69.92 -57.6 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.041 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.7 89.2 0.3 Allowed Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.625 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -43.86 121.59 2.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.996 0.427 . . . . 0.0 111.735 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 t -84.17 13.59 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.21 -157.28 28.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.45 -61.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -88.81 13.62 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.51 176.17 5.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.226 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.7 pt? -149.75 -176.23 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.217 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.4 122.95 45.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 111.085 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -113.01 108.85 17.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.027 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 t -129.39 101.03 19.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 29' ' ' CYS . 27.0 Cg_endo -62.07 170.79 5.77 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.517 2.144 . . . . 0.0 112.527 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -102.61 12.04 36.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.814 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.2 mm? -98.33 145.29 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.685 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -110.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.8 m -77.57 -176.75 4.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.593 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -143.4 134.29 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.88 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.542 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -132.25 176.91 8.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -122.92 103.31 8.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 -110.66 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -119.24 128.79 54.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.025 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.668 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 47.0 t -79.81 172.11 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 63.3 pttt -75.02 -40.53 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 13.6 ptm180 -168.81 143.99 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.027 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.44 54.54 5.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -82.35 158.44 23.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.578 0.228 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -167.0 156.65 10.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 111.284 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -130.34 43.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.62 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -88.04 -26.09 22.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.049 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.36 71.79 0.4 Allowed Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.519 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -42.05 130.52 3.55 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.132 0.491 . . . . 0.0 111.775 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.6 -26.23 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.12 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.52 -160.97 22.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.685 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.23 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.17 12.37 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -98.74 172.57 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.26 172.9 15.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.735 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.22 126.6 52.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.5 t -124.11 107.45 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.737 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 63.2 m -100.72 155.52 36.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.01 -170.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.828 2.352 . . . . 0.0 112.703 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -63.22 -78.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.835 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.83 29.53 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.326 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -91.57 136.05 33.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 m -78.18 173.32 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -140.41 140.82 35.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -79.08 121.51 25.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -141.95 176.88 8.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 54.2 tptt -144.18 125.5 14.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.81 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.69 -89.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.275 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -151.98 112.02 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.98 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 37.9 t -73.92 174.23 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 10.6 ptpp? -73.25 -38.94 65.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.706 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptp180 -174.62 120.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.5 24.2 4.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.828 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 36.2 mt-10 -62.35 106.17 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -140.04 172.78 12.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.57 46.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.458 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -81.73 -18.4 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.246 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.44 84.61 0.13 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.873 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -47.25 138.6 7.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.905 0.384 . . . . 0.0 111.431 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 t -96.35 -12.88 23.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.12 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 -131.6 1.27 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.687 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.26 -70.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.178 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HE2' ' A' ' 8' ' ' LYS . 12.6 ptm180 -95.77 -11.86 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.98 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -72.15 160.46 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.15 176.24 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.44 127.95 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.934 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -114.61 98.58 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.353 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.5 m -97.02 119.75 62.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.84 137.17 26.54 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.352 2.035 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -73.42 -23.78 60.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.683 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.7 pt? -130.7 155.65 46.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.2 tp -145.79 110.23 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.1 m -60.94 141.13 57.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -123.79 159.08 30.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.98 133.73 34.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.445 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.09 152.25 50.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -109.65 112.6 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.32 -78.75 1.08 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.606 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -141.53 145.53 35.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.637 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 48.6 t -102.06 166.29 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 55.6 pttt -78.86 -27.33 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 9.6 ptm180 -173.61 115.57 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.97 30.23 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 34.4 mt-10 -63.26 107.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.554 0.216 . . . . 0.0 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -141.8 173.19 11.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.272 0.558 . . . . 0.0 111.605 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 t -133.73 52.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.398 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.97 -23.87 65.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.488 0.661 . . . . 0.0 109.542 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.16 -112.38 0.63 Allowed Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.033 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 179.5 164.5 1.01 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.886 0.375 . . . . 0.0 111.109 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.5 t -132.14 -11.82 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.97 -147.74 9.93 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.6 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.78 -76.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -96.0 -3.11 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 65.6 m-85 -66.29 154.79 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -134.23 178.13 7.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.15 120.24 41.13 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.282 0.563 . . . . 0.0 111.723 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -108.2 155.9 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.365 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -161.61 130.71 3.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.77 123.46 13.91 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.402 2.068 . . . . 0.0 112.225 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -83.97 33.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.793 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.591 -0.203 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 2' ' ' LEU . 6.4 mp -100.13 114.42 27.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.74 171.8 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -64.04 158.28 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.21 -179.05 5.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.26 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.88 129.61 51.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.068 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 80.7 mtt180 -137.01 -175.32 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -131.71 121.34 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.36 -89.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.156 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -94.91 156.94 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 36.1 m -134.54 -174.45 3.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 30' ' ' PRO . 56.0 pttt -88.08 -46.34 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.974 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -173.57 132.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 80.04 0.71 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.024 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' A' ' 11' ' ' CYS . 23.1 mt-10 -96.44 135.45 38.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.652 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.1 mmp_? -143.65 166.54 24.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.106 0.479 . . . . 0.0 111.377 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.15 48.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.662 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -89.38 -28.95 19.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.232 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.11 77.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.724 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.8 p -44.99 134.27 5.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.046 0.45 . . . . 0.0 111.547 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 t -88.5 -20.56 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.158 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -166.35 -152.32 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.2 mt -78.06 -49.78 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -112.07 1.75 16.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.73 -178.78 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -156.45 174.28 15.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.86 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.18 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 71.3 m -123.65 127.26 47.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.789 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.94 121.02 36.06 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 61.1 Cg_endo -73.53 120.49 6.51 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.426 2.084 . . . . 0.0 112.151 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -82.4 -9.62 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.1 21.7 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.775 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -136.78 157.03 47.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.701 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -86.87 164.18 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -135.77 127.91 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.412 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.0 124.93 33.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -114.24 -177.52 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.072 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -111.26 129.14 56.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.93 -99.64 2.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.563 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 149.22 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.6 t -107.85 172.12 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 60.7 pttt -74.98 -34.6 62.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.542 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 8.8 ptm180 -171.11 128.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' CYS . . . 103.51 24.36 7.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.848 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.22 106.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -142.56 170.11 16.31 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 17' ' ' VAL . 10.1 p -134.26 42.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -78.74 -21.09 48.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.188 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.57 82.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.598 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 p -44.99 151.25 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.09 0.472 . . . . 0.0 111.976 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.0 t -116.46 -17.11 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.892 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.08 -146.28 4.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.438 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -86.91 -68.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 24' ' ' ARG . 13.6 ptm180 -95.58 7.89 44.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.24 154.68 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -132.68 163.92 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.46 123.57 36.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.537 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 9.9 t -121.13 109.06 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.109 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.8 m -96.0 127.18 41.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.751 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.08 45.97 2.14 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.419 2.079 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -108.17 -25.59 11.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.057 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.7 pt? -66.35 140.42 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.6 mt -133.3 109.06 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.791 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.5 m -81.99 150.47 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.1 150.0 51.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.33 120.48 26.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -136.56 127.77 28.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.743 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -89.01 133.6 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.032 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.55 -90.7 1.26 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.714 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -145.98 142.93 29.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 40.8 t -101.06 159.31 15.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -117.51 28.27 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -152.42 47.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 78.96 1.36 Allowed Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.7 mp0 -68.01 150.92 47.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 110.501 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -158.43 157.32 32.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 110.986 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 17' ' ' VAL . 11.8 p -136.28 45.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.476 0.655 . . . . 0.0 110.796 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -87.6 -23.91 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.77 88.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -49.26 137.22 14.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 111.457 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.34 2.34 36.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.24 -131.22 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.42 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.2 mt -96.13 -52.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -115.49 9.25 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.718 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -87.96 147.94 24.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.58 169.1 9.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.5 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 t -118.77 132.38 56.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.403 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.25 137.65 10.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -85.16 116.26 1.75 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.694 2.262 . . . . 0.0 112.343 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -104.47 15.72 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.947 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -101.98 74.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.0 146.17 24.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 m -93.2 164.76 13.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -143.13 150.93 40.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.9 t -84.22 104.87 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -94.94 166.89 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -132.29 94.8 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.986 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 -80.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.8 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -142.3 134.15 27.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.7 t -100.67 171.39 7.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 3.9 ptmt -65.22 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -133.81 97.52 3.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.24 50.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.743 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -84.57 120.65 26.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -144.69 172.22 13.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 17' ' ' VAL . 8.1 p -131.84 37.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -66.05 -30.94 71.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.88 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.58 78.02 0.24 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.614 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -41.62 134.02 2.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.069 0.461 . . . . 0.0 111.769 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.48 -16.24 31.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.53 -142.92 5.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.44 -43.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.661 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -106.43 1.11 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.661 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -99.0 175.89 5.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.4 pt? -156.05 171.73 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.55 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.92 126.39 52.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -122.58 137.65 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.33 144.28 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.679 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.29 94.09 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.39 2.06 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -72.78 -21.65 60.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.0 mp -110.07 -167.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.48 -177.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -68.67 178.06 2.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.699 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -145.47 146.75 31.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.501 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -97.34 106.8 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -115.89 -176.52 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 28.0 ttpp -134.96 126.8 29.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.126 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.23 -96.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.756 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -140.15 128.85 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.692 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 49.4 t -80.77 162.49 24.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -80.13 -24.01 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.406 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.646 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.0 ptp180 -172.31 115.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.984 0.421 . . . . 0.0 111.338 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.61 26.83 4.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.811 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -58.48 116.79 3.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.682 0.277 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -140.75 155.85 46.33 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.093 0.473 . . . . 0.0 111.427 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.55 45.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -91.81 -21.29 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.042 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.3 74.18 0.3 Allowed Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.524 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.1 p -44.64 135.79 4.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.77 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -95.82 -15.32 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.53 -156.14 13.45 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -81.52 -59.83 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.715 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -95.9 -0.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.543 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 75.4 m-85 -89.12 179.79 6.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -161.4 174.38 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.743 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.01 125.27 51.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.8 t -121.66 109.29 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.996 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.65 128.65 25.53 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.83 124.98 14.49 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.338 2.025 . . . . 0.0 112.273 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -66.0 92.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.96 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.1 mt -110.29 40.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.405 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.1 mp -105.04 92.5 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 m -89.69 144.8 25.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.762 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -121.84 151.16 40.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.918 0.39 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 t -92.45 138.15 31.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.305 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.44 HH22 ' HD3' ' A' ' 12' ' ' LYS . 64.5 mtt180 -141.91 166.98 23.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HE2' ' HE ' ' A' ' 24' ' ' ARG . 60.9 tttm -119.31 119.96 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.86 -79.95 0.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.907 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.646 0.26 . . . . 0.0 110.706 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 33.6 t -71.59 171.06 12.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.658 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -72.82 -41.05 65.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptm180 -172.37 57.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.66 33.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.201 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.625 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.6 mp0 -59.53 144.29 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 110.564 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 4.3 tpm_? -160.25 159.07 31.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.488 . . . . 0.0 111.234 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -131.28 45.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -73.37 -30.88 63.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.416 0.627 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.33 -118.85 1.69 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.926 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t 179.57 164.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 110.984 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -132.23 -14.15 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.46 -156.73 17.59 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.396 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.72 -59.22 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.61 ' HD3' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -108.56 2.89 22.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.844 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.38 151.28 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.2 mp -123.92 166.56 15.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.625 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.83 123.57 48.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.454 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.43 154.0 24.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.307 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -163.91 134.66 3.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.06 132.57 48.01 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 31' ' ' ARG . 45.0 ttm180 -87.23 -40.49 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.796 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 2' ' ' LEU . 6.7 mp -101.03 148.17 25.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.333 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 3' ' ' LEU . 3.4 mm? -86.14 174.14 9.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.758 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.628 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.5 m -68.33 -177.16 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -146.35 136.75 23.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.73 130.18 37.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.809 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -139.49 171.53 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -119.48 122.08 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.6 -79.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.642 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -160.63 154.96 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.943 0.402 . . . . 0.0 111.043 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.537 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 28.3 t -107.91 172.87 6.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.55 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -120.88 32.0 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.322 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -176.73 71.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 111.571 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.34 70.92 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.066 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -84.82 93.92 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.522 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -111.17 162.27 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 111.47 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.68 44.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.649 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -76.51 -49.29 16.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.286 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.35 79.5 0.37 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.618 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.1 p -45.76 124.51 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.655 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -75.03 -6.58 50.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.317 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.88 -151.97 12.44 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.216 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -88.6 -45.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.39 . . . . 0.0 110.892 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -104.93 2.21 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.529 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -95.34 178.93 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 pt? -154.27 178.33 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.02 128.11 55.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.748 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -112.02 102.7 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.1 m -97.38 129.61 31.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.615 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 31.0 Cg_exo -61.55 119.87 7.22 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.584 2.189 . . . . 0.0 112.695 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -145.73 88.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.012 -179.797 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' A' ' 30' ' ' PRO . 91.0 mt -65.8 164.11 15.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.9 tp -155.69 155.07 32.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -99.18 143.61 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -126.19 169.32 12.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.7 m -96.72 134.18 40.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 54.9 mtt180 -139.66 177.11 8.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.034 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HG3' ' A' ' 24' ' ' ARG . 88.2 tttt -125.44 140.65 52.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.02 -92.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.36 167.52 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 20.4 m -106.18 -172.47 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.695 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.3 ptmt -101.31 -24.59 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.668 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.695 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 14.3 ptp180 -177.58 110.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.32 59.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.653 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 2.6 mp0 -70.53 125.74 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -140.11 160.02 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.346 0.593 . . . . 0.0 111.819 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 8.7 p -135.19 37.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.651 0.738 . . . . 0.0 110.424 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -69.43 -41.15 76.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.09 85.44 0.22 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.009 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -47.01 129.71 12.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 111.42 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -90.66 -6.2 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.01 -166.05 30.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.7 mt -76.3 -52.81 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.027 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.708 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.46 -5.86 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.722 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -84.64 173.78 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.6 pt? -147.67 178.63 8.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.96 122.06 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.088 0.47 . . . . 0.0 111.201 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 24.0 m -113.1 131.02 55.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 1.8 t -146.16 144.1 20.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.89 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' HB2' HD13 ' A' ' 2' ' ' LEU . 51.3 Cg_exo -56.66 -175.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.655 2.237 . . . . 0.0 112.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -52.46 -60.13 3.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.936 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -102.72 79.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -138.18 66.19 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.665 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.5 m -93.6 178.05 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.927 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -137.78 141.32 40.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.74 122.07 27.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 65.6 mtt-85 -127.47 -175.83 3.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -142.59 131.28 22.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.13 -71.21 0.4 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.405 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -164.66 149.24 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.637 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 11.4 m -91.4 145.74 24.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.148 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -86.64 -16.57 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HE ' ' HD3' ' A' ' 31' ' ' ARG . 3.4 tpt180 -155.55 115.63 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.864 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.7 78.92 0.26 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.706 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.4 mp0 -89.87 137.17 32.56 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.714 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -161.77 151.22 16.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.136 0.493 . . . . 0.0 111.748 -179.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.83 45.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.517 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -87.48 -29.06 21.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.38 72.24 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.928 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.71 133.9 7.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 t -99.07 16.58 22.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.063 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.15 -149.28 13.31 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.46 -68.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -93.1 2.17 56.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.8 pt? -153.91 174.05 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 123.83 46.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.447 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 7' ' ' ARG . 32.4 m -119.85 104.68 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.5 m -101.76 150.41 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.062 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.82 -179.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.587 2.191 . . . . 0.0 112.426 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HD3' ' HE ' ' A' ' 13' ' ' ARG . 53.8 mtm180 -64.12 91.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.065 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.65 136.63 47.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.1 tp -156.16 139.37 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -78.68 143.73 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -128.83 151.5 49.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.377 . . . . 0.0 111.331 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.6 t -75.94 129.51 37.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 24.9 mmt180 -131.27 -177.58 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.327 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -93.8 -165.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.43 -34.78 0.7 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.513 -0.767 . . . . 0.0 113.499 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -141.03 129.13 22.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 111.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.715 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.7 t -86.49 171.37 11.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.239 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 9.7 ptpp? -76.19 -24.93 54.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 15.2 ptm180 -175.55 130.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.983 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.32 70.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.715 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 3.0 mp0 -90.47 128.27 36.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.741 0.305 . . . . 0.0 110.496 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.7 162.19 33.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.131 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 26' ' ' LEU . 3.4 t -132.47 50.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.366 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -88.5 -28.68 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.035 0.445 . . . . 0.0 110.289 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.8 84.4 0.17 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.786 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p -46.06 136.14 6.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t -84.11 -23.15 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.301 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.17 -131.61 1.46 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.751 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.4 mp -82.41 -75.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -95.68 10.56 36.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -97.71 147.76 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.756 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 17' ' ' VAL . 4.8 mp -125.33 -173.82 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.66 120.21 40.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 111.235 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -105.1 146.93 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.45 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -165.63 118.13 0.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.54 147.08 57.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.433 2.088 . . . . 0.0 112.285 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -105.82 -42.26 5.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.934 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 tp -150.55 89.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.766 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.2 pt? -148.28 43.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.4 147.08 26.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -115.44 146.32 41.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.017 0.436 . . . . 0.0 111.287 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -91.92 132.8 36.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.176 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 71.1 mtt-85 -148.53 163.86 35.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 5.0 ttpm? -121.92 150.35 42.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -84.81 1.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.433 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -163.65 128.36 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 95.6 m -78.44 171.22 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.298 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 21.8 pttp -86.53 -21.24 27.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.54 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' HG3' ' A' ' 12' ' ' LYS . 16.0 ptm180 -173.74 129.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 21.81 19.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.668 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 11' ' ' CYS . 33.0 mt-10 -58.36 117.08 4.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.682 0.277 . . . . 0.0 110.86 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -140.53 169.01 18.45 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.317 0.58 . . . . 0.0 111.618 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 t -139.34 47.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -67.23 -33.51 75.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.59 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.07 -112.39 0.95 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.181 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t 179.56 170.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.725 0.298 . . . . 0.0 110.845 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 47.8 t -135.09 7.48 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.797 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.58 -147.93 14.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.39 -71.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -112.14 37.1 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 35.7 m-85 -98.23 149.15 22.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.97 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 mp -114.63 161.73 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 124.19 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 61.9 m -120.98 152.85 38.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -145.73 120.28 5.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.659 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.3 144.13 61.06 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.375 2.05 . . . . 0.0 112.498 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -93.93 -45.65 7.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.755 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.84 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.4 mp -87.9 14.3 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.08 145.75 39.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -84.46 143.56 29.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -129.96 155.69 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 0.0 111.234 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 140.31 31.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 52.0 mtt180 -147.42 -176.68 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -124.59 136.04 53.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.11 -93.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.784 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -104.92 170.72 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.706 0.288 . . . . 0.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.681 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 87.4 m -141.22 -172.08 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -88.18 -51.87 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.211 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -147.7 142.94 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 111.084 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.39 83.52 0.04 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.831 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 11' ' ' CYS . 1.9 mp0 -99.36 110.48 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.591 0.234 . . . . 0.0 110.457 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -143.37 -171.6 3.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.513 0.673 . . . . 0.0 111.986 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -137.7 53.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.577 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 43.8 ttp180 -60.62 -51.93 67.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.14 -114.02 3.45 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t 178.96 158.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -127.48 -27.17 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.015 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.38 -139.18 2.65 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.438 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -92.06 -62.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.721 ' HD3' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -99.83 19.35 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.708 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.11 -178.82 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -158.64 168.25 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.14 119.63 39.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 15' ' ' GLU . 69.4 m -118.76 122.1 41.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.016 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.29 136.18 26.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.731 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.3 131.83 18.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.418 2.079 . . . . 0.0 112.483 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -125.57 89.52 3.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.024 -179.763 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HB3' ' HG2' ' A' ' 30' ' ' PRO . 86.6 mt -79.61 117.32 20.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.758 0.314 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.87 140.55 31.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.9 m -88.32 179.3 6.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -142.72 168.63 19.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -99.12 122.02 41.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -121.81 149.49 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.79 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.06 131.56 53.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.3 -77.14 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.671 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -152.3 149.7 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.711 0.291 . . . . 0.0 111.019 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.6 t -99.86 166.81 10.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HG3' ' HD3' ' A' ' 13' ' ' ARG . 11.0 pttm -75.6 -37.97 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.32 132.52 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.869 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.11 33.57 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.556 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.19 122.8 19.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -140.92 160.08 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.2 46.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -86.25 -33.51 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.291 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.7 82.2 0.23 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.785 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 t -45.89 139.09 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.836 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.1 t -94.95 -12.36 26.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.888 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . 177.28 -168.07 39.59 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.561 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.84 -55.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -109.64 17.34 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.662 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB2' ' N ' ' A' ' 22' ' ' GLY . 93.9 m-85 -102.06 148.64 25.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 26' ' ' LEU . 3.6 mp -125.05 173.65 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.56 124.34 51.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.856 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.9 t -117.92 121.53 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.463 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -123.76 154.49 67.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.079 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 79.8 Cg_exo -41.84 152.72 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.848 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -42.37 -43.8 3.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.85 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -119.41 153.64 34.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.49 69.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 28.6 m -99.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -132.04 157.37 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 111.4 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.3 t -83.53 118.48 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.702 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -113.47 163.92 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -126.33 129.32 48.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.82 -64.68 4.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -167.14 148.57 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 110.756 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.672 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 50.1 t -109.14 167.39 10.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 22.5 mmtp -64.26 -80.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -131.47 101.41 5.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 -179.3 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.89 37.32 0.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 27.5 mt-10 -72.34 112.48 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.63 0.252 . . . . 0.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -133.88 173.55 11.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.7 p -135.5 39.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -72.51 -35.43 68.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.199 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.78 81.02 0.29 Allowed Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.645 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -43.82 125.21 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.089 0.471 . . . . 0.0 111.731 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.2 t -88.41 -14.4 38.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.732 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.84 16.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.7 mp -87.29 -54.85 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -97.42 11.9 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -108.42 -175.48 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.0 pt? -164.16 179.82 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.399 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.13 120.48 37.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.11 0.481 . . . . 0.0 111.558 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 t -108.15 166.74 10.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.581 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 t -161.47 91.86 1.46 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.686 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.43 127.66 23.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.61 2.206 . . . . 0.0 112.461 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -96.17 93.95 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 179.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 2' ' ' LEU . 6.9 mp -98.0 47.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.01 0.433 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.8 mt -114.09 61.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.0 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.4 m -79.79 -176.47 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -147.07 170.08 17.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 t -97.02 130.66 44.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.842 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -132.09 170.69 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -132.1 107.39 8.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.36 -86.64 0.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.873 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -145.21 115.72 7.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.742 0.306 . . . . 0.0 111.11 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.602 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 41.3 t -70.0 169.13 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.512 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 20.6 ptmt -100.55 -13.47 18.61 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.993 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 12' ' ' LYS . 70.0 mtp180 -148.89 89.62 1.69 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.084 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.6 68.63 1.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.665 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 11' ' ' CYS . 2.9 mp0 -83.1 112.8 20.14 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -142.79 166.94 23.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.478 0.656 . . . . 0.0 112.085 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 17' ' ' VAL . 13.0 p -130.87 44.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.082 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.19 -52.63 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.19 2.94 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t 179.19 160.41 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -120.77 -36.41 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.9 -141.09 3.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.2 mt -74.09 -65.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -101.11 -7.8 22.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.93 164.62 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.5 pt? -140.15 177.11 8.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.24 118.32 36.41 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.215 0.531 . . . . 0.0 111.73 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.8 t -108.37 110.9 22.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.663 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.9 m -102.01 148.72 35.75 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.288 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 72.5 Cg_endo -75.86 162.0 35.48 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.638 2.225 . . . . 0.0 112.476 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -69.91 -24.94 63.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.568 -0.73 . . . . 0.0 111.106 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.8 tp -90.78 82.42 5.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -164.37 128.3 2.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 51.3 m -75.83 157.15 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -133.44 171.65 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.0 111.275 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 t -106.16 127.59 53.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.501 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH2' ' HE2' ' A' ' 12' ' ' LYS . 73.4 mtt-85 -130.83 171.06 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.01 0.433 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -113.29 110.1 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.247 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.99 -106.61 3.16 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.324 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -91.25 171.6 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.133 0.492 . . . . 0.0 111.593 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 7' ' ' ARG . 90.2 m -139.37 -170.44 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.276 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HE2' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -104.65 -28.42 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 35.4 mtt180 -165.45 138.79 4.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 111.599 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.55 81.15 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.128 -0.558 . . . . 0.0 113.171 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 28.1 mt-10 -102.65 113.65 27.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.636 0.255 . . . . 0.0 110.916 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -141.6 169.58 17.34 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.107 0.479 . . . . 0.0 111.329 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.41 45.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -71.94 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.804 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.93 76.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.316 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -41.81 127.93 3.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.151 0.501 . . . . 0.0 111.851 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.2 t -82.55 -25.24 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.001 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.38 -163.86 28.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.645 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.43 -50.84 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 111.121 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -107.72 -8.48 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -82.05 153.03 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -133.22 177.19 7.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.13 125.33 54.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -133.12 136.73 45.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.79 144.01 36.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.69 132.91 22.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.492 2.128 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -126.32 96.22 4.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.763 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.078 179.944 . . . . . . . . 0 0 . 1 stop_ save_